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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-(4-ethanoylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(azepan-1-yl)phenyl]piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(1-azepanyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(azepan-1-yl)phenyl]piperidine-4-carboxamide Traditional Name: 1-(4-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=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

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

InChI

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