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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-(p-tolylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-(p-tolylthio)ethyl]isonipecotamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S2/c1-18-7-9-21(10-8-18)28-16-13-23-22(25)20-11-14-24(15-12-20)29(26,27)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,23,25)