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

Systemtic Name: 4-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 4-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 4-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-[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=C(C=C3)C(=O)O)F

Isomeric SMILES

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

InChI

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