6,6-bis[3-(dimethylamino)phenyl]-1-(4-methylphenyl)sulfonyl-7H-indazole-3-carboxylic acid

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

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

InChI

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