6-[(4-methylphenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 6-[(4-methylphenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Openeye Name: 6-(p-tolylsulfonylamino)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid CAS Name: 6-[(4-methylphenyl)sulfonylamino]-2-[4-(2-pyrimidinyl)-1-piperazinyl]-4-quinolinecarboxylic acid IUPAC Name: 6-[(4-methylphenyl)sulfonylamino]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid Traditional Name: 2-[4-(2-pyrimidyl)piperazino]-6-(tosylamino)cinchoninic acid Formula: C25H24N6O4S MolecularWeight: 504.56086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H24N6O4S/c1-17-3-6-19(7-4-17)36(34,35)29-18-5-8-22-20(15-18)21(24(32)33)16-23(28-22)30-11-13-31(14-12-30)25-26-9-2-10-27-25/h2-10,15-16,29H,11-14H2,1H3,(H,32,33)