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

Systemtic Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]-N-(1-phenylpropyl)benzamide Openeye Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]-N-(1-phenylpropyl)benzamide CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]methyl]-N-(1-phenylpropyl)benzamide IUPAC Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]-N-(1-phenylpropyl)benzamide Traditional Name: 4-[[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]methyl]-N-(1-phenylpropyl)benzamide Formula: C29H32ClN3O4S MolecularWeight: 554.10008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CN(C3CCCCNC3=O)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CN(C3CCCCNC3=O)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H32ClN3O4S/c1-2-26(22-8-4-3-5-9-22)32-28(34)23-13-11-21(12-14-23)20-33(27-10-6-7-19-31-29(27)35)38(36,37)25-17-15-24(30)16-18-25/h3-5,8-9,11-18,26-27H,2,6-7,10,19-20H2,1H3,(H,31,35)(H,32,34)