N-[2-(azepan-1-yl)phenyl]-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-(3-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-acetylphenyl)sulfonyl-N-[2-(azepan-1-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-(3-acetylphenyl)sulfonyl-N-[2-(1-azepanyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-acetylphenyl)sulfonyl-N-[2-(azepan-1-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-acetylphenyl)sulfonyl-N-[2-(azepan-1-yl)phenyl]isonipecotamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCCCC4

InChI

InChI=1S/C26H33N3O4S/c1-20(30)22-9-8-10-23(19-22)34(32,33)29-17-13-21(14-18-29)26(31)27-24-11-4-5-12-25(24)28-15-6-2-3-7-16-28/h4-5,8-12,19,21H,2-3,6-7,13-18H2,1H3,(H,27,31)