2-[4-(4-ethanoylphenyl)piperazin-1-yl]-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-6-[(3-fluorophenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-[(3-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-6-[(3-fluorophenyl)sulfonylamino]cinchoninic acid Formula: C28H25FN4O5S MolecularWeight: 548.585303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC(=C5)F)C(=C3)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NC4=C(C=C(C=C4)NS(=O)(=O)C5=CC=CC(=C5)F)C(=C3)C(=O)O

InChI

InChI=1S/C28H25FN4O5S/c1-18(34)19-5-8-22(9-6-19)32-11-13-33(14-12-32)27-17-25(28(35)36)24-16-21(7-10-26(24)30-27)31-39(37,38)23-4-2-3-20(29)15-23/h2-10,15-17,31H,11-14H2,1H3,(H,35,36)