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

Systemtic Name: 2-butyl-4-methyl-1-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid Openeye Name: 2-butyl-4-methyl-1-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid CAS Name: 2-butyl-4-methyl-1-[[4-[2-[[oxo(propylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-1-benzimidazol-1-iumcarboxylic acid IUPAC Name: 2-butyl-4-methyl-1-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid Traditional Name: 2-butyl-4-methyl-1-[4-[2-(propylcarbamoylsulfamoyl)phenyl]benzyl]benzimidazol-1-ium-1-carboxylic acid Formula: C30H35N4O5S+ MolecularWeight: 563.6877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O5S/c1-4-6-14-27-32-28-21(3)10-9-12-25(28)34(27,30(36)37)20-22-15-17-23(18-16-22)24-11-7-8-13-26(24)40(38,39)33-29(35)31-19-5-2/h7-13,15-18H,4-6,14,19-20H2,1-3H3,(H2-,31,33,35,36,37)/p+1