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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC

InChI

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