1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(2-methoxy-5-methylphenyl)sulfonyl-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methoxy-5-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-methoxy-5-methyl-phenyl)sulfonyl-N-[3-(methylthio)phenyl]isonipecotamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S2/c1-15-7-8-19(27-2)20(13-15)29(25,26)23-11-9-16(10-12-23)21(24)22-17-5-4-6-18(14-17)28-3/h4-8,13-14,16H,9-12H2,1-3H3,(H,22,24)