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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[2-[(4-methylphenyl)thio]ethyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(p-tolylthio)ethyl]-1-tosyl-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)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S2/c1-17-3-7-20(8-4-17)28-16-13-23-22(25)19-11-14-24(15-12-19)29(26,27)21-9-5-18(2)6-10-21/h3-10,19H,11-16H2,1-2H3,(H,23,25)