1-(4-ethylsulfonyl-2-fluoranyl-phenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(4-ethylsulfonyl-2-fluoranyl-phenyl)piperidine-3-carboxylic acid Openeye Name: 1-(4-ethylsulfonyl-2-fluoro-phenyl)piperidine-3-carboxylic acid CAS Name: 1-(4-ethylsulfonyl-2-fluorophenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(4-ethylsulfonyl-2-fluorophenyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-esyl-2-fluoro-phenyl)nipecotic acid Formula: C14H18FNO4S MolecularWeight: 315.360423

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)O)F

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N2CCCC(C2)C(=O)O)F

InChI

InChI=1S/C14H18FNO4S/c1-2-21(19,20)11-5-6-13(12(15)8-11)16-7-3-4-10(9-16)14(17)18/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18)