1-(4-ethanoylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-ethanoylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(methylthio)phenyl]isonipecotamide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H24N2O4S2/c1-15(24)16-7-9-18(10-8-16)29(26,27)23-13-11-17(12-14-23)21(25)22-19-5-3-4-6-20(19)28-2/h3-10,17H,11-14H2,1-2H3,(H,22,25)