1-(4-methylphenyl)sulfonyl-6-phenyl-6-pyrimidin-4-yl-7H-indazole-3-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)sulfonyl-6-phenyl-6-pyrimidin-4-yl-7H-indazole-3-carboxylic acid Openeye Name: 6-phenyl-1-(p-tolylsulfonyl)-6-pyrimidin-4-yl-7H-indazole-3-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-6-phenyl-6-(4-pyrimidinyl)-7H-indazole-3-carboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-6-phenyl-6-pyrimidin-4-yl-7H-indazole-3-carboxylic acid Traditional Name: 6-phenyl-6-(4-pyrimidyl)-1-tosyl-7H-indazole-3-carboxylic acid Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC(C3)(C4=CC=CC=C4)C5=NC=NC=C5)C(=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC(C3)(C4=CC=CC=C4)C5=NC=NC=C5)C(=N2)C(=O)O

InChI

InChI=1S/C25H20N4O4S/c1-17-7-9-19(10-8-17)34(32,33)29-21-15-25(18-5-3-2-4-6-18,22-12-14-26-16-27-22)13-11-20(21)23(28-29)24(30)31/h2-14,16H,15H2,1H3,(H,30,31)