5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-2-oxidanyl-benzoic acid Openeye Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonyl-2-hydroxy-benzoic acid CAS Name: 5-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]-2-hydroxybenzoic acid IUPAC Name: 5-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonyl-2-hydroxybenzoic acid Traditional Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonyl-2-hydroxy-benzoic acid Formula: C19H19FN2O6S MolecularWeight: 422.427363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)F

InChI

InChI=1S/C19H19FN2O6S/c1-12(23)13-2-4-17(16(20)10-13)21-6-8-22(9-7-21)29(27,28)14-3-5-18(24)15(11-14)19(25)26/h2-5,10-11,24H,6-9H2,1H3,(H,25,26)