methyl 1-(dimethylcarbamoyl)-4-[4-(1-methylsulfonyloxyethyl)phenyl]carbonyl-indol-1-ium-1-carboxylate

Systemtic Name: methyl 1-(dimethylcarbamoyl)-4-[4-(1-methylsulfonyloxyethyl)phenyl]carbonyl-indol-1-ium-1-carboxylate Openeye Name: methyl 1-(dimethylcarbamoyl)-4-[4-(1-methylsulfonyloxyethyl)benzoyl]indol-1-ium-1-carboxylate CAS Name: 1-[dimethylamino(oxo)methyl]-4-[[4-(1-methylsulfonyloxyethyl)phenyl]-oxomethyl]-1-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(dimethylcarbamoyl)-4-[4-(1-methylsulfonyloxyethyl)benzoyl]indol-1-ium-1-carboxylate Traditional Name: 1-(dimethylcarbamoyl)-4-[4-(1-methylsulfonyloxyethyl)benzoyl]indol-1-ium-1-carboxylic acid methyl ester Formula: C23H25N2O7S+ MolecularWeight: 473.5188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=C3C=C[N+](C3=CC=C2)(C(=O)N(C)C)C(=O)OC)OS(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=C3C=C[N+](C3=CC=C2)(C(=O)N(C)C)C(=O)OC)OS(=O)(=O)C

InChI

InChI=1S/C23H25N2O7S/c1-15(32-33(5,29)30)16-9-11-17(12-10-16)21(26)19-7-6-8-20-18(19)13-14-25(20,23(28)31-4)22(27)24(2)3/h6-15H,1-5H3/q+1