(2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide

C118H141ClF15N13O15S5 — CID 158315847

IUPAC(2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)CCCS(=O)(=O)N(C)C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)CCS(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)S(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1)S(=O)(=O)CCCCl
InChIInChI=1S/C26H34F3N3O3S.C24H28ClF3N2O3S.C24H30F3N3O3S.C22H26F3N3O3S.C22H23F3N2O3S/c1-31(2)14-7-15-36(33,34)32(3)17-20-11-12-21-24(18-8-5-4-6-9-18)30-23-13-10-19(26(27,28)29)16-22(23)25(21)35-20;1-30(34(31,32)13-5-12-25)15-18-9-10-19-22(16-6-3-2-4-7-16)29-21-11-8-17(24(26,27)28)14-20(21)23(19)33-18;1-30(2)12-13-34(31,32)28-15-18-9-10-19-22(16-6-4-3-5-7-16)29-21-11-8-17(24(25,26)27)14-20(21)23(19)33-18;1-28(2)32(29,30)26-13-16-9-10-17-20(14-6-4-3-5-7-14)27-19-11-8-15(22(23,24)25)12-18(19)21(17)31-16;1-2-31(28,29)26-13-16-9-10-17-20(14-6-4-3-5-7-14)27-19-11-8-15(22(23,24)25)12-18(19)21(17)30-16/h4-6,8-10,13,16,20-21,24-25,30H,7,11-12,14-15,17H2,1-3H3;2-4,6-8,11,14,18-19,22-23,29H,5,9-10,12-13,15H2,1H3;3-8,11,14,18-19,22-23,28-29H,9-10,12-13,15H2,1-2H3;3-8,11-12,16-17,20-21,26-27H,9-10,13H2,1-2H3;2-8,11-12,16-17,20-21,26-27H,1,9-10,13H2/t20-,21+,24+,25+;2*18-,19+,22+,23+;2*16-,17+,20+,21+/m11111/s1
InChIKeyGOGBQZDQHBYBSP-WYVSEOPKSA-N
MW2462.26 g/mol
LogP23.59
Rot. Bonds32

About (2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide

(2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide (PubChem CID 158315847) has the molecular formula C118H141ClF15N13O15S5 and a molecular weight of 2462.26 g/mol. Its IUPAC name is (2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound Name(2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide
PubChem CID158315847
Molecular FormulaC118H141ClF15N13O15S5
Molecular Weight2462.26 g/mol
Exact Mass2459.87
IUPAC Name(2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)CCCS(=O)(=O)N(C)C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)CCS(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)S(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1)S(=O)(=O)CCCCl
InChIInChI=1S/C26H34F3N3O3S.C24H28ClF3N2O3S.C24H30F3N3O3S.C22H26F3N3O3S.C22H23F3N2O3S/c1-31(2)14-7-15-36(33,34)32(3)17-20-11-12-21-24(18-8-5-4-6-9-18)30-23-13-10-19(26(27,28)29)16-22(23)25(21)35-20;1-30(34(31,32)13-5-12-25)15-18-9-10-19-22(16-6-3-2-4-7-16)29-21-11-8-17(24(26,27)28)14-20(21)23(19)33-18;1-30(2)12-13-34(31,32)28-15-18-9-10-19-22(16-6-4-3-5-7-16)29-21-11-8-17(24(25,26)27)14-20(21)23(19)33-18;1-28(2)32(29,30)26-13-16-9-10-17-20(14-6-4-3-5-7-14)27-19-11-8-15(22(23,24)25)12-18(19)21(17)31-16;1-2-31(28,29)26-13-16-9-10-17-20(14-6-4-3-5-7-14)27-19-11-8-15(22(23,24)25)12-18(19)21(17)30-16/h4-6,8-10,13,16,20-21,24-25,30H,7,11-12,14-15,17H2,1-3H3;2-4,6-8,11,14,18-19,22-23,29H,5,9-10,12-13,15H2,1H3;3-8,11,14,18-19,22-23,28-29H,9-10,12-13,15H2,1-2H3;3-8,11-12,16-17,20-21,26-27H,9-10,13H2,1-2H3;2-8,11-12,16-17,20-21,26-27H,1,9-10,13H2/t20-,21+,24+,25+;2*18-,19+,22+,23+;2*16-,17+,20+,21+/m11111/s1
InChIKeyGOGBQZDQHBYBSP-WYVSEOPKSA-N
XLogP23.59
TPSA329.29 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds32
Heavy Atoms167
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002462.26
LogP ≤ 523.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide?
The IUPAC name of (2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide (CID 158315847) is (2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide.
What is the SMILES notation for (2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide?
The canonical SMILES for (2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)CCCS(=O)(=O)N(C)C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)CCS(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C)S(=O)(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1.CN(C[C@H]1CC[C@@H]2[C@H](O1)c1cc(C(F)(F)F)ccc1N[C@H]2c1ccccc1)S(=O)(=O)CCCCl.
What is the InChIKey of (2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide?
The InChIKey is GOGBQZDQHBYBSP-WYVSEOPKSA-N. The full InChI is InChI=1S/C26H34F3N3O3S.C24H28ClF3N2O3S.C24H30F3N3O3S.C22H26F3N3O3S.C22H23F3N2O3S/c1-31(2)14-7-15-36(33,34)32(3)17-20-11-12-21-24(18-8-5-4-6-9-18)30-23-13-10-19(26(27,28)29)16-22(23)25(21)35-20;1-30(34(31,32)13-5-12-25)15-18-9-10-19-22(16-6-3-2-4-7-16)29-21-11-8-17(24(26,27)28)14-20(21)23(19)33-18;1-30(2)12-13-34(31,32)28-15-18-9-10-19-22(16-6-4-3-5-7-16)29-21-11-8-17(24(25,26)27)14-20(21)23(19)33-18;1-28(2)32(29,30)26-13-16-9-10-17-20(14-6-4-3-5-7-14)27-19-11-8-15(22(23,24)25)12-18(19)21(17)31-16;1-2-31(28,29)26-13-16-9-10-17-20(14-6-4-3-5-7-14)27-19-11-8-15(22(23,24)25)12-18(19)21(17)30-16/h4-6,8-10,13,16,20-21,24-25,30H,7,11-12,14-15,17H2,1-3H3;2-4,6-8,11,14,18-19,22-23,29H,5,9-10,12-13,15H2,1H3;3-8,11,14,18-19,22-23,28-29H,9-10,12-13,15H2,1-2H3;3-8,11-12,16-17,20-21,26-27H,9-10,13H2,1-2H3;2-8,11-12,16-17,20-21,26-27H,1,9-10,13H2/t20-,21+,24+,25+;2*18-,19+,22+,23+;2*16-,17+,20+,21+/m11111/s1.
What are the key properties of (2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide?
(2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide has a molecular weight of 2462.26 g/mol, XLogP of 23.59, 32 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS,5R,10bS)-2-[(dimethylsulfamoylamino)methyl]-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-chloro-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-(dimethylamino)ethanesulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)-N-methylpropane-1-sulfonamide;N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 158315847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).