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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)CSCC2=CC(=CC=C2)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)CSCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C15H18ClNO3S/c16-12-5-3-4-11(8-12)9-21-10-14(18)17-7-2-1-6-13(17)15(19)20/h3-5,8,13H,1-2,6-7,9-10H2,(H,19,20)