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

Systemtic Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]methyl]-N-(1-pyridin-3-ylethyl)benzamide Openeye Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]-N-[1-(3-pyridyl)ethyl]benzamide CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]methyl]-N-[1-(3-pyridinyl)ethyl]benzamide IUPAC Name: 4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]-N-(1-pyridin-3-ylethyl)benzamide Traditional Name: 4-[[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]methyl]-N-[1-(3-pyridyl)ethyl]benzamide Formula: C27H29ClN4O4S MolecularWeight: 541.06156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN4O4S/c1-19(22-5-4-15-29-17-22)31-26(33)21-9-7-20(8-10-21)18-32(25-6-2-3-16-30-27(25)34)37(35,36)24-13-11-23(28)12-14-24/h4-5,7-15,17,19,25H,2-3,6,16,18H2,1H3,(H,30,34)(H,31,33)