N-[2-(4-methylphenyl)sulfanylethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(p-tolylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-[(4-methylphenyl)thio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[2-(p-tolylthio)ethyl]isonipecotamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-17-7-9-19(10-8-17)27-16-13-22-21(24)18-11-14-23(15-12-18)28(25,26)20-5-3-2-4-6-20/h2-10,18H,11-16H2,1H3,(H,22,24)