1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(2-fluorophenyl)thio]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-fluorophenyl)sulfanylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(2-fluorophenyl)thio]ethyl]nipecotic acid Formula: C14H18FNO2S MolecularWeight: 283.361623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCSC2=CC=CC=C2F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)CCSC2=CC=CC=C2F)C(=O)O

InChI

InChI=1S/C14H18FNO2S/c15-12-5-1-2-6-13(12)19-9-8-16-7-3-4-11(10-16)14(17)18/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)