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

Systemtic Name: N-[3-(2-oxidanylideneazepan-1-yl)propyl]-4-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperazine-1-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[3-(2-oxo-1-azepanyl)propyl]-1-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[3-(2-oxoazepan-1-yl)propyl]piperazine-1-carboxamide Traditional Name: 4-besyl-N-[3-(2-ketoazepan-1-yl)propyl]piperazine-1-carboxamide Formula: C20H30N4O4S MolecularWeight: 422.5416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H30N4O4S/c25-19-10-5-2-6-12-22(19)13-7-11-21-20(26)23-14-16-24(17-15-23)29(27,28)18-8-3-1-4-9-18/h1,3-4,8-9H,2,5-7,10-17H2,(H,21,26)