1-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[3,4-bis(fluoranyl)phenyl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3,4-difluorophenyl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(3,4-difluorophenyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3,4-difluorophenyl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(3,4-difluorophenyl)thio]acetyl]isonipecotic acid Formula: C14H15F2NO3S MolecularWeight: 315.335606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)CSC2=CC(=C(C=C2)F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)CSC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C14H15F2NO3S/c15-11-2-1-10(7-12(11)16)21-8-13(18)17-5-3-9(4-6-17)14(19)20/h1-2,7,9H,3-6,8H2,(H,19,20)