ethyl 1-[3-acetamido-4-(4-chlorophenyl)sulfanyl-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-acetamido-4-(4-chlorophenyl)sulfanyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-acetamido-4-(4-chlorophenyl)sulfanyl-benzoyl]piperidine-4-carboxylate CAS Name: 1-[[3-acetamido-4-[(4-chlorophenyl)thio]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-acetamido-4-(4-chlorophenyl)sulfanylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[3-acetamido-4-[(4-chlorophenyl)thio]benzoyl]isonipecotic acid ethyl ester Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)NC(=O)C

InChI

InChI=1S/C23H25ClN2O4S/c1-3-30-23(29)16-10-12-26(13-11-16)22(28)17-4-9-21(20(14-17)25-15(2)27)31-19-7-5-18(24)6-8-19/h4-9,14,16H,3,10-13H2,1-2H3,(H,25,27)