methyl 1-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]isonipecotic acid methyl ester Formula: C21H22ClNO3S MolecularWeight: 403.92228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO3S/c1-26-21(25)17-10-12-23(13-11-17)20(24)16-4-2-15(3-5-16)14-27-19-8-6-18(22)7-9-19/h2-9,17H,10-14H2,1H3