About benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid
benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid (PubChem CID 157341923) has the molecular formula C152H166Cl4F16N18O24S3
and a molecular weight of 3171.08 g/mol. Its IUPAC name is benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid?
The IUPAC name of benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid (CID 157341923) is benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid.
What is the SMILES notation for benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid?
The canonical SMILES for benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid is CN(C(=O)OCc1ccccc1)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1NC(=O)OC(C)(C)C.CN1CC(C(=O)O)C1.CN[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1NC(=O)OC(C)(C)C.CN[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1Nc1cc(F)c(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2ccncn2)cc1Cl.COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cc(Cl)c(F)cc2F)c(OC)c1.COc1ccc(CN(c2ccncn2)S(=O)(=O)c2cc(Cl)c(N[C@H]3CC[C@H](c4cccc(C(F)(F)F)c4)C[C@@H]3N(C)C(=O)OCc3ccccc3)cc2F)c(OC)c1.O=C(Cl)OCc1ccccc1.
What is the InChIKey of benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid?
The InChIKey is BGMNZGBSKQECDL-DYXPLLIDSA-N. The full InChI is InChI=1S/C41H40ClF4N5O6S.C33H34ClF4N5O4S.C27H33F3N2O4.C19H16ClF2N3O4S.C19H27F3N2O2.C8H7ClO2.C5H9NO2/c1-50(40(52)57-24-26-8-5-4-6-9-26)36-19-28(27-10-7-11-30(18-27)41(44,45)46)13-15-34(36)49-35-22-33(43)38(21-32(35)42)58(53,54)51(39-16-17-47-25-48-39)23-29-12-14-31(55-2)20-37(29)56-3;1-39-29-14-21(20-5-4-6-23(13-20)33(36,37)38)8-10-27(29)42-28-17-26(35)31(16-25(28)34)48(44,45)43(32-11-12-40-19-41-32)18-22-7-9-24(46-2)15-30(22)47-3;1-26(2,3)36-24(33)31-22-14-13-20(19-11-8-12-21(15-19)27(28,29)30)16-23(22)32(4)25(34)35-17-18-9-6-5-7-10-18;1-28-13-4-3-12(17(7-13)29-2)10-25(19-5-6-23-11-24-19)30(26,27)18-8-14(20)15(21)9-16(18)22;1-18(2,3)26-17(25)24-15-9-8-13(11-16(15)23-4)12-6-5-7-14(10-12)19(20,21)22;9-8(10)11-6-7-4-2-1-3-5-7;1-6-2-4(3-6)5(7)8/h4-12,14,16-18,20-22,25,28,34,36,49H,13,15,19,23-24H2,1-3H3;4-7,9,11-13,15-17,19,21,27,29,39,42H,8,10,14,18H2,1-3H3;5-12,15,20,22-23H,13-14,16-17H2,1-4H3,(H,31,33);3-9,11H,10H2,1-2H3;5-7,10,13,15-16,23H,8-9,11H2,1-4H3,(H,24,25);1-5H,6H2;4H,2-3H2,1H3,(H,7,8)/t28-,34-,36-;21-,27-,29-;20-,22-,23-;;13-,15-,16-;;/m000.0../s1.
What are the key properties of benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid?
benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid has a molecular weight of 3171.08 g/mol, XLogP of 33.10, 42 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbonochloridate;benzyl N-[(1S,2S,5S)-2-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-pyrimidin-4-ylsulfamoyl]-5-fluoroanilino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]-N-methylcarbamate;benzyl N-methyl-N-[(1S,2S,5S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;tert-butyl N-[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamate;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2,4-difluoro-N-pyrimidin-4-ylbenzenesulfonamide;5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-4-[[(1S,2S,4S)-2-(methylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]amino]-N-pyrimidin-4-ylbenzenesulfonamide;1-methylazetidine-3-carboxylic acid is sourced from PubChem (CID 157341923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).