methyl 1-[2-(phenylmethylsulfanyl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(phenylmethylsulfanyl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2-benzylsulfanylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[2-(phenylmethylthio)phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzylsulfanylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-[2-(benzylthio)benzoyl]isonipecotic acid methyl ester Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=CC=C2SCC3=CC=CC=C3

InChI

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