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

Systemtic Name: 6-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 2-[4-(1,3-dimethylbutyl)piperazin-1-yl]-6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 6-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[4-(4-methylpentan-2-yl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(5-fluoro-2-methylphenyl)sulfonylamino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 2-[4-(1,3-dimethylbutyl)piperazino]-6-[(5-fluoro-2-methyl-phenyl)sulfonylamino]cinchoninic acid Formula: C27H33FN4O4S MolecularWeight: 528.638723

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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(C)CC(C)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(C)CC(C)C

InChI

InChI=1S/C27H33FN4O4S/c1-17(2)13-19(4)31-9-11-32(12-10-31)26-16-23(27(33)34)22-15-21(7-8-24(22)29-26)30-37(35,36)25-14-20(28)6-5-18(25)3/h5-8,14-17,19,30H,9-13H2,1-4H3,(H,33,34)