methyl 1-(dimethylcarbamoyl)-1-(4-methylphenyl)sulfonyl-indol-1-ium-3-carboxylate

Systemtic Name: methyl 1-(dimethylcarbamoyl)-1-(4-methylphenyl)sulfonyl-indol-1-ium-3-carboxylate Openeye Name: methyl 1-(dimethylcarbamoyl)-1-(p-tolylsulfonyl)indol-1-ium-3-carboxylate CAS Name: 1-[dimethylamino(oxo)methyl]-1-(4-methylphenyl)sulfonyl-3-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(dimethylcarbamoyl)-1-(4-methylphenyl)sulfonylindol-1-ium-3-carboxylate Traditional Name: 1-(dimethylcarbamoyl)-1-tosyl-indol-1-ium-3-carboxylic acid methyl ester Formula: C20H21N2O5S+ MolecularWeight: 401.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(C=C(C3=CC=CC=C32)C(=O)OC)C(=O)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2(C=C(C3=CC=CC=C32)C(=O)OC)C(=O)N(C)C

InChI

InChI=1S/C20H21N2O5S/c1-14-9-11-15(12-10-14)28(25,26)22(20(24)21(2)3)13-17(19(23)27-4)16-7-5-6-8-18(16)22/h5-13H,1-4H3/q+1