N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(2-oxo-1-azepanyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-(2-ketoazepan-1-yl)propyl]isonipecotamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O4S/c25-20-10-5-2-6-14-23(20)15-7-13-22-21(26)18-11-16-24(17-12-18)29(27,28)19-8-3-1-4-9-19/h1,3-4,8-9,18H,2,5-7,10-17H2,(H,22,26)