6-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]-2-[4-(2-pyridyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[4-(2-pyridinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]-2-[4-(2-pyridyl)piperazino]cinchoninic acid Formula: C26H24FN5O4S MolecularWeight: 521.563263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H24FN5O4S/c1-17-5-6-18(27)14-23(17)37(35,36)30-19-7-8-22-20(15-19)21(26(33)34)16-25(29-22)32-12-10-31(11-13-32)24-4-2-3-9-28-24/h2-9,14-16,30H,10-13H2,1H3,(H,33,34)