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

Systemtic Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-fluorophenyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(2-fluorophenyl)piperazino]cinchoninic acid Formula: C28H27FN4O4S MolecularWeight: 534.601783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C28H27FN4O4S/c1-2-19-7-10-21(11-8-19)38(36,37)31-20-9-12-25-22(17-20)23(28(34)35)18-27(30-25)33-15-13-32(14-16-33)26-6-4-3-5-24(26)29/h3-12,17-18,31H,2,13-16H2,1H3,(H,34,35)