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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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