methyl 1-[2-(bromomethyl)phenyl]sulfonyl-1-(dimethylcarbamoyl)indol-1-ium-3-carboxylate

Systemtic Name: methyl 1-[2-(bromomethyl)phenyl]sulfonyl-1-(dimethylcarbamoyl)indol-1-ium-3-carboxylate Openeye Name: methyl 1-[2-(bromomethyl)phenyl]sulfonyl-1-(dimethylcarbamoyl)indol-1-ium-3-carboxylate CAS Name: 1-[2-(bromomethyl)phenyl]sulfonyl-1-[dimethylamino(oxo)methyl]-3-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(bromomethyl)phenyl]sulfonyl-1-(dimethylcarbamoyl)indol-1-ium-3-carboxylate Traditional Name: 1-[2-(bromomethyl)phenyl]sulfonyl-1-(dimethylcarbamoyl)indol-1-ium-3-carboxylic acid methyl ester Formula: C20H20BrN2O5S+ MolecularWeight: 480.3522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)[N+]1(C=C(C2=CC=CC=C21)C(=O)OC)S(=O)(=O)C3=CC=CC=C3CBr

Isomeric SMILES

CN(C)C(=O)[N+]1(C=C(C2=CC=CC=C21)C(=O)OC)S(=O)(=O)C3=CC=CC=C3CBr

InChI

InChI=1S/C20H20BrN2O5S/c1-22(2)20(25)23(29(26,27)18-11-7-4-8-14(18)12-21)13-16(19(24)28-3)15-9-5-6-10-17(15)23/h4-11,13H,12H2,1-3H3/q+1