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

Systemtic Name: 6-(ethylsulfonylamino)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-(ethylsulfonylamino)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-(ethylsulfonylamino)-2-[4-(4-fluorophenyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(ethylsulfonylamino)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-(esylamino)-2-[4-(4-fluorophenyl)piperazino]cinchoninic acid Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

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