3-methyl-1-(4-methylphenyl)sulfonyl-indole-6-carboxylic acid

Systemtic Name: 3-methyl-1-(4-methylphenyl)sulfonyl-indole-6-carboxylic acid Openeye Name: 3-methyl-1-(p-tolylsulfonyl)indole-6-carboxylic acid CAS Name: 3-methyl-1-(4-methylphenyl)sulfonyl-6-indolecarboxylic acid IUPAC Name: 3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxylic acid Traditional Name: 3-methyl-1-tosyl-indole-6-carboxylic acid Formula: C17H15NO4S MolecularWeight: 329.3703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=C(C=C3)C(=O)O)C

InChI

InChI=1S/C17H15NO4S/c1-11-3-6-14(7-4-11)23(21,22)18-10-12(2)15-8-5-13(17(19)20)9-16(15)18/h3-10H,1-2H3,(H,19,20)