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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-6-[(4-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-[(4-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-6-[(4-fluorophenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-[(4-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-6-[(4-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=C(C=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=C(C=C5)F)C(=C3)C(=O)O

InChI

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