4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]quinoline-3,6-dicarboxylic acid

Systemtic Name: 4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]amino]quinoline-3,6-dicarboxylic acid Openeye Name: 4-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]quinoline-3,6-dicarboxylic acid CAS Name: 4-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]anilino]quinoline-3,6-dicarboxylic acid IUPAC Name: 4-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]quinoline-3,6-dicarboxylic acid Traditional Name: 4-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]anilino]quinoline-3,6-dicarboxylic acid Formula: C22H17N5O6S MolecularWeight: 479.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3C(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3C(=O)O)C(=O)O

InChI

InChI=1S/C22H17N5O6S/c1-12-8-9-23-22(25-12)27-34(32,33)15-5-3-14(4-6-15)26-19-16-10-13(20(28)29)2-7-18(16)24-11-17(19)21(30)31/h2-11H,1H3,(H,24,26)(H,28,29)(H,30,31)(H,23,25,27)