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

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazinyl]-6-[(2,4,6-trimethylphenyl)sulfonylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-yl)-6-[(2,4,6-trimethylphenyl)sulfonylamino]quinoline-4-carboxylic acid Traditional Name: 6-(mesitylsulfonylamino)-2-[4-(2-pyrimidyl)piperazino]cinchoninic acid Formula: C27H28N6O4S MolecularWeight: 532.61402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O4S/c1-17-13-18(2)25(19(3)14-17)38(36,37)31-20-5-6-23-21(15-20)22(26(34)35)16-24(30-23)32-9-11-33(12-10-32)27-28-7-4-8-29-27/h4-8,13-16,31H,9-12H2,1-3H3,(H,34,35)