1-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(3-chlorobenzyl)thio]acetyl]nipecotic acid Formula: C15H18ClNO3S MolecularWeight: 327.82632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSCC2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSCC2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C15H18ClNO3S/c16-13-5-1-3-11(7-13)9-21-10-14(18)17-6-2-4-12(8-17)15(19)20/h1,3,5,7,12H,2,4,6,8-10H2,(H,19,20)