ethyl 2-[(4-cyanophenyl)methyl]-1-methyl-1-(phenylsulfonylamino)benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 2-[(4-cyanophenyl)methyl]-1-methyl-1-(phenylsulfonylamino)benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-(benzenesulfonamido)-2-[(4-cyanophenyl)methyl]-1-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-(benzenesulfonamido)-2-[(4-cyanophenyl)methyl]-1-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzenesulfonamido)-2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-(benzenesulfonamido)-2-(4-cyanobenzyl)-1-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C25H23N4O4S+ MolecularWeight: 475.53952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[N+](C(=N2)CC3=CC=C(C=C3)C#N)(C)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[N+](C(=N2)CC3=CC=C(C=C3)C#N)(C)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H23N4O4S/c1-3-33-25(30)20-13-14-23-22(16-20)27-24(15-18-9-11-19(17-26)12-10-18)29(23,2)28-34(31,32)21-7-5-4-6-8-21/h4-14,16,28H,3,15H2,1-2H3/q+1