3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonylbenzoic acid Formula: C19H19FN2O5S MolecularWeight: 406.427963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN2O5S/c1-13(23)14-5-6-18(17(20)12-14)21-7-9-22(10-8-21)28(26,27)16-4-2-3-15(11-16)19(24)25/h2-6,11-12H,7-10H2,1H3,(H,24,25)