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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=CC3=C(C=C2)N=C(C=C3C(=O)O)N4CCN(CC4)C5=NC=CC=N5

InChI

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