N-[3-(cyclohexylamino)-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-(cyclohexylamino)-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(cyclohexylamino)-3-oxo-propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(cyclohexylamino)-3-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(cyclohexylamino)-3-oxopropyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-(cyclohexylamino)-3-keto-propyl]isonipecotamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)NC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H31N3O4S/c25-20(23-18-7-3-1-4-8-18)11-14-22-21(26)17-12-15-24(16-13-17)29(27,28)19-9-5-2-6-10-19/h2,5-6,9-10,17-18H,1,3-4,7-8,11-16H2,(H,22,26)(H,23,25)