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

Systemtic Name: 2-butyl-1-[[4-[2-(cyclopropylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid Openeye Name: 2-butyl-1-[[4-[2-(cyclopropylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid CAS Name: 2-butyl-1-[[4-[2-[[(cyclopropylmethylamino)-oxomethyl]sulfamoyl]phenyl]phenyl]methyl]-1-benzimidazol-1-iumcarboxylic acid IUPAC Name: 2-butyl-1-[[4-[2-(cyclopropylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid Traditional Name: 2-butyl-1-[4-[2-(cyclopropylmethylcarbamoylsulfamoyl)phenyl]benzyl]benzimidazol-1-ium-1-carboxylic acid Formula: C30H33N4O5S+ MolecularWeight: 561.67182

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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)NCC5CC5)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)NCC5CC5)C(=O)O

InChI

InChI=1S/C30H32N4O5S/c1-2-3-12-28-32-25-9-5-6-10-26(25)34(28,30(36)37)20-22-15-17-23(18-16-22)24-8-4-7-11-27(24)40(38,39)33-29(35)31-19-21-13-14-21/h4-11,15-18,21H,2-3,12-14,19-20H2,1H3,(H2-,31,33,35,36,37)/p+1