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

Systemtic Name: 6-[(4-fluorophenyl)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-[(4-fluorophenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 6-[(4-fluorophenyl)sulfonylamino]-2-[4-(4-methylpentan-2-yl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-fluorophenyl)sulfonylamino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 2-[4-(1,3-dimethylbutyl)piperazino]-6-[(4-fluorophenyl)sulfonylamino]cinchoninic acid Formula: C26H31FN4O4S MolecularWeight: 514.612143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)N1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)C(=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C)N1CCN(CC1)C2=NC3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F)C(=C2)C(=O)O

InChI

InChI=1S/C26H31FN4O4S/c1-17(2)14-18(3)30-10-12-31(13-11-30)25-16-23(26(32)33)22-15-20(6-9-24(22)28-25)29-36(34,35)21-7-4-19(27)5-8-21/h4-9,15-18,29H,10-14H2,1-3H3,(H,32,33)