1-[2,5-bis(fluoranyl)phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxylic acid CAS Name: 1-(2,5-difluorophenyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-(2,5-difluorophenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-(2,5-difluorophenyl)sulfonylnipecotic acid Formula: C12H13F2NO4S MolecularWeight: 305.297726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)F)F)C(=O)O

InChI

InChI=1S/C12H13F2NO4S/c13-9-3-4-10(14)11(6-9)20(18,19)15-5-1-2-8(7-15)12(16)17/h3-4,6,8H,1-2,5,7H2,(H,16,17)