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

Systemtic Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-fluorophenyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-[(4-ethylphenyl)sulfonylamino]-2-[4-(4-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=C(C=C5)F

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=C(C=C5)F

InChI

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