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

Systemtic Name: N-[3-[(4-methylphenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(4-methylanilino)-3-oxo-propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(4-methylanilino)-3-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-keto-3-(p-toluidino)propyl]isonipecotamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-17-7-9-19(10-8-17)24-21(26)11-14-23-22(27)18-12-15-25(16-13-18)30(28,29)20-5-3-2-4-6-20/h2-10,18H,11-16H2,1H3,(H,23,27)(H,24,26)