methyl 1-[3-(methylsulfanylmethyl)phenyl]carbonyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(methylsulfanylmethyl)phenyl]carbonyl-4-phenyl-piperidine-4-carboxylate Openeye Name: methyl 1-[3-(methylsulfanylmethyl)benzoyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(methylsulfanylmethyl)benzoyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[3-[(methylthio)methyl]benzoyl]-4-phenyl-isonipecotic acid methyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)C(=O)C2=CC(=CC=C2)CSC)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCN(CC1)C(=O)C2=CC(=CC=C2)CSC)C3=CC=CC=C3

InChI

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