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

Systemtic Name: 6-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-(4-methyl-1-piperazinyl)-4-quinolinecarboxylic acid IUPAC Name: 6-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]-2-(4-methylpiperazino)cinchoninic acid Formula: C22H23FN4O4S MolecularWeight: 458.505823

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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)C

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)C

InChI

InChI=1S/C22H23FN4O4S/c1-14-3-4-15(23)11-20(14)32(30,31)25-16-5-6-19-17(12-16)18(22(28)29)13-21(24-19)27-9-7-26(2)8-10-27/h3-6,11-13,25H,7-10H2,1-2H3,(H,28,29)