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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-6-phenyl-7H-indazole-3-carboxylic acid Openeye Name: 6-(3,4-dimethoxyphenyl)-6-phenyl-1-(p-tolylsulfonyl)-7H-indazole-3-carboxylic acid CAS Name: 6-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-6-phenyl-7H-indazole-3-carboxylic acid IUPAC Name: 6-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonyl-6-phenyl-7H-indazole-3-carboxylic acid Traditional Name: 6-(3,4-dimethoxyphenyl)-6-phenyl-1-tosyl-7H-indazole-3-carboxylic acid Formula: C29H26N2O6S MolecularWeight: 530.59154

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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(=C(C=C5)OC)OC)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(=C(C=C5)OC)OC)C(=N2)C(=O)O

InChI

InChI=1S/C29H26N2O6S/c1-19-9-12-22(13-10-19)38(34,35)31-24-18-29(20-7-5-4-6-8-20,16-15-23(24)27(30-31)28(32)33)21-11-14-25(36-2)26(17-21)37-3/h4-17H,18H2,1-3H3,(H,32,33)