5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-[(2-ethyl-1-piperidyl)sulfonyl]-2-fluoro-benzoic acid CAS Name: 5-[(2-ethyl-1-piperidinyl)sulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-(2-ethylpiperidin-1-yl)sulfonyl-2-fluorobenzoic acid Traditional Name: 5-(2-ethylpiperidino)sulfonyl-2-fluoro-benzoic acid Formula: C14H18FNO4S MolecularWeight: 315.360423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O

InChI

InChI=1S/C14H18FNO4S/c1-2-10-5-3-4-8-16(10)21(19,20)11-6-7-13(15)12(9-11)14(17)18/h6-7,9-10H,2-5,8H2,1H3,(H,17,18)