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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClFNO4S/c13-9-1-2-11(10(14)7-9)20(18,19)15-5-3-8(4-6-15)12(16)17/h1-2,7-8H,3-6H2,(H,16,17)