N-(3-methylsulfanylphenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-(methylthio)phenyl]isonipecotamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S2/c1-25-17-7-5-6-16(14-17)20-19(22)15-10-12-21(13-11-15)26(23,24)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3,(H,20,22)