1-(4-methylphenyl)sulfonyl-6,6-diphenyl-7H-indazole-3-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)sulfonyl-6,6-diphenyl-7H-indazole-3-carboxylic acid Openeye Name: 6,6-diphenyl-1-(p-tolylsulfonyl)-7H-indazole-3-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-6,6-diphenyl-7H-indazole-3-carboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-6,6-diphenyl-7H-indazole-3-carboxylic acid Traditional Name: 6,6-diphenyl-1-tosyl-7H-indazole-3-carboxylic acid Formula: C27H22N2O4S MolecularWeight: 470.53958

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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=CC=CC=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=CC=CC=C5)C(=N2)C(=O)O

InChI

InChI=1S/C27H22N2O4S/c1-19-12-14-22(15-13-19)34(32,33)29-24-18-27(20-8-4-2-5-9-20,21-10-6-3-7-11-21)17-16-23(24)25(28-29)26(30)31/h2-17H,18H2,1H3,(H,30,31)