methyl 2-(dimethylcarbamoyl)-3-(4-methylphenyl)sulfonyl-1H-indole-4-carboxylate

Systemtic Name: methyl 2-(dimethylcarbamoyl)-3-(4-methylphenyl)sulfonyl-1H-indole-4-carboxylate Openeye Name: methyl 2-(dimethylcarbamoyl)-3-(p-tolylsulfonyl)-1H-indole-4-carboxylate CAS Name: 2-[dimethylamino(oxo)methyl]-3-(4-methylphenyl)sulfonyl-1H-indole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-(dimethylcarbamoyl)-3-(4-methylphenyl)sulfonyl-1H-indole-4-carboxylate Traditional Name: 2-(dimethylcarbamoyl)-3-tosyl-1H-indole-4-carboxylic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=CC=CC(=C32)C(=O)OC)C(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=CC=CC(=C32)C(=O)OC)C(=O)N(C)C

InChI

InChI=1S/C20H20N2O5S/c1-12-8-10-13(11-9-12)28(25,26)18-16-14(20(24)27-4)6-5-7-15(16)21-17(18)19(23)22(2)3/h5-11,21H,1-4H3