5,7-dimethyl-1-(4-methylphenyl)sulfonyl-3-phenyl-indole-2-carboxylic acid

Systemtic Name: 5,7-dimethyl-1-(4-methylphenyl)sulfonyl-3-phenyl-indole-2-carboxylic acid Openeye Name: 5,7-dimethyl-3-phenyl-1-(p-tolylsulfonyl)indole-2-carboxylic acid CAS Name: 5,7-dimethyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2-indolecarboxylic acid IUPAC Name: 5,7-dimethyl-1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carboxylic acid Traditional Name: 5,7-dimethyl-3-phenyl-1-tosyl-indole-2-carboxylic acid Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3C(=C2C(=O)O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3C(=C2C(=O)O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H21NO4S/c1-15-9-11-19(12-10-15)30(28,29)25-22-17(3)13-16(2)14-20(22)21(23(25)24(26)27)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,26,27)