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

Systemtic Name: 6,6-bis(4-dimethylaminophenyl)-1-(4-methylphenyl)sulfonyl-7H-indazole-3-carboxylic acid Openeye Name: 6,6-bis(4-dimethylaminophenyl)-1-(p-tolylsulfonyl)-7H-indazole-3-carboxylic acid CAS Name: 6,6-bis(4-dimethylaminophenyl)-1-(4-methylphenyl)sulfonyl-7H-indazole-3-carboxylic acid IUPAC Name: 6,6-bis(4-dimethylaminophenyl)-1-(4-methylphenyl)sulfonyl-7H-indazole-3-carboxylic acid Traditional Name: 6,6-bis(4-dimethylaminophenyl)-1-tosyl-7H-indazole-3-carboxylic acid Formula: C31H32N4O4S MolecularWeight: 556.67518

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=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C)C(=N2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C31H32N4O4S/c1-21-6-16-26(17-7-21)40(38,39)35-28-20-31(19-18-27(28)29(32-35)30(36)37,22-8-12-24(13-9-22)33(2)3)23-10-14-25(15-11-23)34(4)5/h6-19H,20H2,1-5H3,(H,36,37)