6-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-6-phenyl-7H-indazole-3-carboxylic acid

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-6-phenyl-7H-indazole-3-carboxylic acid Openeye Name: 6-(1,3-benzodioxol-5-yl)-6-phenyl-1-(p-tolylsulfonyl)-7H-indazole-3-carboxylic acid CAS Name: 6-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-6-phenyl-7H-indazole-3-carboxylic acid IUPAC Name: 6-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)sulfonyl-6-phenyl-7H-indazole-3-carboxylic acid Traditional Name: 6-(1,3-benzodioxol-5-yl)-6-phenyl-1-tosyl-7H-indazole-3-carboxylic acid Formula: C28H22N2O6S MolecularWeight: 514.54908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=CC(C3)(C4=CC=CC=C4)C5=CC6=C(C=C5)OCO6)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=CC6=C(C=C5)OCO6)C(=N2)C(=O)O

InChI

InChI=1S/C28H22N2O6S/c1-18-7-10-21(11-8-18)37(33,34)30-23-16-28(19-5-3-2-4-6-19,14-13-22(23)26(29-30)27(31)32)20-9-12-24-25(15-20)36-17-35-24/h2-15H,16-17H2,1H3,(H,31,32)