1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-bromanyl-4,6-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(2-bromo-4,6-difluoro-phenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(2-bromo-4,6-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(2-bromo-4,6-difluorophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(2-bromo-4,6-difluoro-phenyl)sulfonylisonipecotic acid Formula: C12H12BrF2NO4S MolecularWeight: 384.193786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2Br)F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=C(C=C2Br)F)F

InChI

InChI=1S/C12H12BrF2NO4S/c13-9-5-8(14)6-10(15)11(9)21(19,20)16-3-1-7(2-4-16)12(17)18/h5-7H,1-4H2,(H,17,18)