methyl 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[3-[(4-chlorophenyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(4-chlorophenyl)thio]propanoyl]isonipecotic acid methyl ester Formula: C16H20ClNO3S MolecularWeight: 341.8529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20ClNO3S/c1-21-16(20)12-6-9-18(10-7-12)15(19)8-11-22-14-4-2-13(17)3-5-14/h2-5,12H,6-11H2,1H3