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

Systemtic Name: 1-[2,6-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-(2,6-difluorophenyl)sulfonylpiperidine-4-carboxylic acid CAS Name: 1-(2,6-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-(2,6-difluorophenyl)sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-(2,6-difluorophenyl)sulfonylisonipecotic acid Formula: C12H13F2NO4S MolecularWeight: 305.297726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)S(=O)(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C12H13F2NO4S/c13-9-2-1-3-10(14)11(9)20(18,19)15-6-4-8(5-7-15)12(16)17/h1-3,8H,4-7H2,(H,16,17)