1-(4-chloranyl-2-fluoranyl-phenyl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(4-chloranyl-2-fluoranyl-phenyl)sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-(4-chloro-2-fluoro-phenyl)sulfonylpiperidine-3-carboxylic acid CAS Name: 1-(4-chloro-2-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-(4-chloro-2-fluoro-phenyl)sulfonylnipecotic acid Formula: C12H13ClFNO4S MolecularWeight: 321.752323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClFNO4S/c13-9-3-4-11(10(14)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)