1-(phenylsulfonyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[1-[4-(1-oxopropylamino)phenyl]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[1-(4-propionamidophenyl)ethyl]isonipecotamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4S/c1-3-22(27)25-20-11-9-18(10-12-20)17(2)24-23(28)19-13-15-26(16-14-19)31(29,30)21-7-5-4-6-8-21/h4-12,17,19H,3,13-16H2,1-2H3,(H,24,28)(H,25,27)