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

Systemtic Name: ethyl 1-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[(4-chlorophenyl)thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3S/c1-2-27-22(26)18-11-13-24(14-12-18)21(25)17-5-3-16(4-6-17)15-28-20-9-7-19(23)8-10-20/h3-10,18H,2,11-15H2,1H3