N-(3-methylphenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methylphenyl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)sulfonyl-N-(m-tolyl)piperidine-4-carboxamide CAS Name: N-(3-methylphenyl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-methylphenyl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-[4-(methylthio)phenyl]sulfonyl-N-(m-tolyl)isonipecotamide Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c1-15-4-3-5-17(14-15)21-20(23)16-10-12-22(13-11-16)27(24,25)19-8-6-18(26-2)7-9-19/h3-9,14,16H,10-13H2,1-2H3,(H,21,23)