3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)propanamide

Systemtic Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)propanamide Openeye Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)propanamide CAS Name: 3-acetamido-N-[4-(1-azepanylsulfonyl)phenyl]-3-(4-chlorophenyl)propanamide IUPAC Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)propanamide Traditional Name: 3-acetamido-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-chlorophenyl)propionamide Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H28ClN3O4S/c1-17(28)25-22(18-6-8-19(24)9-7-18)16-23(29)26-20-10-12-21(13-11-20)32(30,31)27-14-4-2-3-5-15-27/h6-13,22H,2-5,14-16H2,1H3,(H,25,28)(H,26,29)