methyl 1-[4-(phenylsulfanylmethyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(phenylsulfanylmethyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-(phenylsulfanylmethyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-[(phenylthio)methyl]phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(phenylsulfanylmethyl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(phenylthio)methyl]benzoyl]isonipecotic acid methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C21H23NO3S/c1-25-21(24)18-11-13-22(14-12-18)20(23)17-9-7-16(8-10-17)15-26-19-5-3-2-4-6-19/h2-10,18H,11-15H2,1H3