methyl 4-[[4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl-(pyridin-2-ylmethyl)sulfamoyl]benzoate

Systemtic Name: methyl 4-[[4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl-(pyridin-2-ylmethyl)sulfamoyl]benzoate Openeye Name: methyl 4-[[4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl-(2-pyridylmethyl)sulfamoyl]benzoate CAS Name: 4-[[4-[oxo-[(1-phenylcyclopropyl)amino]methyl]phenyl]methyl-(2-pyridinylmethyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl-(pyridin-2-ylmethyl)sulfamoyl]benzoate Traditional Name: 4-[[4-[(1-phenylcyclopropyl)carbamoyl]benzyl]-(2-pyridylmethyl)sulfamoyl]benzoic acid methyl ester Formula: C31H29N3O5S MolecularWeight: 555.64406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC3(CC3)C4=CC=CC=C4)CC5=CC=CC=N5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)NC3(CC3)C4=CC=CC=C4)CC5=CC=CC=N5

InChI

InChI=1S/C31H29N3O5S/c1-39-30(36)25-14-16-28(17-15-25)40(37,38)34(22-27-9-5-6-20-32-27)21-23-10-12-24(13-11-23)29(35)33-31(18-19-31)26-7-3-2-4-8-26/h2-17,20H,18-19,21-22H2,1H3,(H,33,35)