1-[(3-chlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-chlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-chlorophenyl)-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-chlorophenyl)-[4-(methylthio)phenyl]methyl]isonipecotic acid Formula: C20H22ClNO2S MolecularWeight: 375.91218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC(=CC=C2)Cl)N3CCC(CC3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC(=CC=C2)Cl)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H22ClNO2S/c1-25-18-7-5-14(6-8-18)19(16-3-2-4-17(21)13-16)22-11-9-15(10-12-22)20(23)24/h2-8,13,15,19H,9-12H2,1H3,(H,23,24)