4-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]-N-(2-pyrrol-1-ylphenyl)benzamide

Systemtic Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]-N-(2-pyrrol-1-ylphenyl)benzamide Openeye Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]-N-(2-pyrrol-1-ylphenyl)benzamide CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]methyl]-N-[2-(1-pyrrolyl)phenyl]benzamide IUPAC Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]-N-(2-pyrrol-1-ylphenyl)benzamide Traditional Name: 4-[[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]methyl]-N-(2-pyrrol-1-ylphenyl)benzamide Formula: C30H29ClN4O4S MolecularWeight: 577.09366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4C=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4C=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H29ClN4O4S/c31-24-14-16-25(17-15-24)40(38,39)35(28-9-3-4-18-32-30(28)37)21-22-10-12-23(13-11-22)29(36)33-26-7-1-2-8-27(26)34-19-5-6-20-34/h1-2,5-8,10-17,19-20,28H,3-4,9,18,21H2,(H,32,37)(H,33,36)