1-[3,5-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3,5-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(3,5-difluorophenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(3,5-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(3,5-difluorophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(3,5-difluorophenyl)sulfonylisonipecotic acid Formula: C12H13F2NO4S MolecularWeight: 305.297726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=CC(=C2)F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=CC(=CC(=C2)F)F

InChI

InChI=1S/C12H13F2NO4S/c13-9-5-10(14)7-11(6-9)20(18,19)15-3-1-8(2-4-15)12(16)17/h5-8H,1-4H2,(H,16,17)