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

Systemtic Name: 6-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]-2-[4-(2-pyrimidyl)piperazino]cinchoninic acid Formula: C25H23FN6O4S MolecularWeight: 522.551323

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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=NC=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=NC=CC=N5

InChI

InChI=1S/C25H23FN6O4S/c1-16-3-4-17(26)13-22(16)37(35,36)30-18-5-6-21-19(14-18)20(24(33)34)15-23(29-21)31-9-11-32(12-10-31)25-27-7-2-8-28-25/h2-8,13-15,30H,9-12H2,1H3,(H,33,34)