2-butyl-1-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid

Systemtic Name: 2-butyl-1-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid Openeye Name: 2-butyl-1-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid CAS Name: 2-butyl-1-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-1-benzimidazol-1-iumcarboxylic acid IUPAC Name: 2-butyl-1-[[4-[2-(ethoxycarbonylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid Traditional Name: 2-butyl-1-[4-[2-(carbethoxysulfamoyl)phenyl]benzyl]benzimidazol-1-ium-1-carboxylic acid Formula: C28H30N3O6S+ MolecularWeight: 536.6193

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)OCC)C(=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)OCC)C(=O)O

InChI

InChI=1S/C28H29N3O6S/c1-3-5-14-26-29-23-11-7-8-12-24(23)31(26,28(33)34)19-20-15-17-21(18-16-20)22-10-6-9-13-25(22)38(35,36)30-27(32)37-4-2/h6-13,15-18H,3-5,14,19H2,1-2H3,(H-,30,32,33,34)/p+1