1-(2-fluoranyl-4-methylsulfonyl-phenyl)piperidine-2-carboxylic acid

Systemtic Name: 1-(2-fluoranyl-4-methylsulfonyl-phenyl)piperidine-2-carboxylic acid Openeye Name: 1-(2-fluoro-4-methylsulfonyl-phenyl)piperidine-2-carboxylic acid CAS Name: 1-(2-fluoro-4-methylsulfonylphenyl)-2-piperidinecarboxylic acid IUPAC Name: 1-(2-fluoro-4-methylsulfonylphenyl)piperidine-2-carboxylic acid Traditional Name: 1-(2-fluoro-4-mesyl-phenyl)pipecolinic acid Formula: C13H16FNO4S MolecularWeight: 301.333843

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2C(=O)O)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCCC2C(=O)O)F

InChI

InChI=1S/C13H16FNO4S/c1-20(18,19)9-5-6-11(10(14)8-9)15-7-3-2-4-12(15)13(16)17/h5-6,8,12H,2-4,7H2,1H3,(H,16,17)