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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-6,6-di(pyrimidin-4-yl)-7H-indazole-3-carboxylic acid Openeye Name: 1-(p-tolylsulfonyl)-6,6-di(pyrimidin-4-yl)-7H-indazole-3-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-6,6-bis(4-pyrimidinyl)-7H-indazole-3-carboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-6,6-di(pyrimidin-4-yl)-7H-indazole-3-carboxylic acid Traditional Name: 6,6-bis(4-pyrimidyl)-1-tosyl-7H-indazole-3-carboxylic acid Formula: C23H18N6O4S MolecularWeight: 474.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H18N6O4S/c1-15-2-4-16(5-3-15)34(32,33)29-18-12-23(19-7-10-24-13-26-19,20-8-11-25-14-27-20)9-6-17(18)21(28-29)22(30)31/h2-11,13-14H,12H2,1H3,(H,30,31)