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

Systemtic Name: 5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonyl-2-fluoro-benzoic acid CAS Name: 5-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonyl-2-fluorobenzoic acid Traditional Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonyl-2-fluoro-benzoic acid Formula: C19H18F2N2O5S MolecularWeight: 424.418426

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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)F)C(=O)O)F

Isomeric SMILES

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

InChI

InChI=1S/C19H18F2N2O5S/c1-12(24)13-2-5-18(17(21)10-13)22-6-8-23(9-7-22)29(27,28)14-3-4-16(20)15(11-14)19(25)26/h2-5,10-11H,6-9H2,1H3,(H,25,26)