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

Systemtic Name: 6-(ethylsulfonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Openeye Name: 6-(ethylsulfonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid CAS Name: 6-(ethylsulfonylamino)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-(ethylsulfonylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid Traditional Name: 6-(esylamino)-2-[4-(2-methoxyphenyl)piperazino]cinchoninic acid Formula: C23H26N4O5S MolecularWeight: 470.54134

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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=CC=C4OC

Isomeric SMILES

CCS(=O)(=O)NC1=CC2=C(C=C1)N=C(C=C2C(=O)O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C23H26N4O5S/c1-3-33(30,31)25-16-8-9-19-17(14-16)18(23(28)29)15-22(24-19)27-12-10-26(11-13-27)20-6-4-5-7-21(20)32-2/h4-9,14-15,25H,3,10-13H2,1-2H3,(H,28,29)