(4-methylsulfanylphenyl)methyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [4-(methylthio)benzyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)SC

InChI

InChI=1S/C22H25NO3S/c1-16-5-3-4-6-20(16)21(24)23-13-11-18(12-14-23)22(25)26-15-17-7-9-19(27-2)10-8-17/h3-10,18H,11-15H2,1-2H3