N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline

C115H102N12O16S — CID 91466798

About N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline

N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline (PubChem CID 91466798) has the molecular formula C115H102N12O16S and a molecular weight of 1940.22 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline
• PubChem CID: 91466798
• Molecular Formula: C115H102N12O16S
• Molecular Weight: 1940.22 g/mol
• Exact Mass: 1938.73
• IUPAC Name: N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline
• SMILES: C(=C/c1ccccc1Cc1nn[nH]n1)\c1ccc(OCc2ccc3ccccc3n2)cc1.CCCc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1OC(C)C(C)=O.COC(=O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c(OCc2ncn[nH]2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1
• InChI: InChI=1S/C31H26N2O6S.C30H31NO4.C28H24N4O5.C26H21N5O/c1-37-30-19-24(31(34)33-40(35,36)27-11-3-2-4-12-27)15-17-29(30)39-20-22-8-7-10-26(18-22)38-21-25-16-14-23-9-5-6-13-28(23)32-25;1-4-9-24-11-7-12-25(30(24)35-22(3)21(2)32)19-33-27-13-8-14-28(18-27)34-20-26-17-16-23-10-5-6-15-29(23)31-26;1-34-28(33)20-9-10-21(26(13-20)37-17-27-29-18-30-32-27)15-35-23-6-4-7-24(14-23)36-16-22-12-11-19-5-2-3-8-25(19)31-22;1-2-7-22(17-26-28-30-31-29-26)20(5-1)12-9-19-10-15-24(16-11-19)32-18-23-14-13-21-6-3-4-8-25(21)27-23/h2-19H,20-21H2,1H3,(H,33,34);5-8,10-18,22H,4,9,19-20H2,1-3H3;2-14,18H,15-17H2,1H3,(H,29,30,32);1-16H,17-18H2,(H,28,29,30,31)/b;;;12-9+
• InChIKey: OZLTVUJRWZJUQT-NRZKSIRXSA-N
• XLogP: 22.19
• TPSA: 346.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 38
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.22
LogP ≤ 5	22.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The IUPAC name of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline (CID 91466798) is N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline.

What is the SMILES notation for N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The canonical SMILES for N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline is C(=C/c1ccccc1Cc1nn[nH]n1)\c1ccc(OCc2ccc3ccccc3n2)cc1.CCCc1cccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c1OC(C)C(C)=O.COC(=O)c1ccc(COc2cccc(OCc3ccc4ccccc4n3)c2)c(OCc2ncn[nH]2)c1.COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1OCc1cccc(OCc2ccc3ccccc3n2)c1.

What is the InChIKey of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The InChIKey is OZLTVUJRWZJUQT-NRZKSIRXSA-N. The full InChI is InChI=1S/C31H26N2O6S.C30H31NO4.C28H24N4O5.C26H21N5O/c1-37-30-19-24(31(34)33-40(35,36)27-11-3-2-4-12-27)15-17-29(30)39-20-22-8-7-10-26(18-22)38-21-25-16-14-23-9-5-6-13-28(23)32-25;1-4-9-24-11-7-12-25(30(24)35-22(3)21(2)32)19-33-27-13-8-14-28(18-27)34-20-26-17-16-23-10-5-6-15-29(23)31-26;1-34-28(33)20-9-10-21(26(13-20)37-17-27-29-18-30-32-27)15-35-23-6-4-7-24(14-23)36-16-22-12-11-19-5-2-3-8-25(19)31-22;1-2-7-22(17-26-28-30-31-29-26)20(5-1)12-9-19-10-15-24(16-11-19)32-18-23-14-13-21-6-3-4-8-25(21)27-23/h2-19H,20-21H2,1H3,(H,33,34);5-8,10-18,22H,4,9,19-20H2,1-3H3;2-14,18H,15-17H2,1H3,(H,29,30,32);1-16H,17-18H2,(H,28,29,30,31)/b;;;12-9+.

What are the key properties of N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline?

N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline has a molecular weight of 1940.22 g/mol, XLogP of 22.19, 38 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(benzenesulfonyl)-3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzamide;methyl 4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]-3-(1H-1,2,4-triazol-5-ylmethoxy)benzoate;3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[2-(2H-tetrazol-5-ylmethyl)phenyl]ethenyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 91466798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).