4-bromanyl-3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonyl-4-bromo-benzoic acid CAS Name: 3-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]-4-bromobenzoic acid IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonyl-4-bromobenzoic acid Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonyl-4-bromo-benzoic acid Formula: C19H18BrFN2O5S MolecularWeight: 485.324023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrFN2O5S/c1-12(24)13-3-5-17(16(21)10-13)22-6-8-23(9-7-22)29(27,28)18-11-14(19(25)26)2-4-15(18)20/h2-5,10-11H,6-9H2,1H3,(H,25,26)