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

Systemtic Name: 2-butyl-1-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid Openeye Name: 1-[[4-[2-(allylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-2-butyl-benzimidazol-1-ium-1-carboxylic acid CAS Name: 2-butyl-1-[[4-[2-[[oxo-(prop-2-enylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-1-benzimidazol-1-iumcarboxylic acid IUPAC Name: 2-butyl-1-[[4-[2-(prop-2-enylcarbamoylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid Traditional Name: 1-[4-[2-(allylcarbamoylsulfamoyl)phenyl]benzyl]-2-butyl-benzimidazol-1-ium-1-carboxylic acid Formula: C29H31N4O5S+ MolecularWeight: 547.64524

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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)NCC=C)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)NCC=C)C(=O)O

InChI

InChI=1S/C29H30N4O5S/c1-3-5-14-27-31-24-11-7-8-12-25(24)33(27,29(35)36)20-21-15-17-22(18-16-21)23-10-6-9-13-26(23)39(37,38)32-28(34)30-19-4-2/h4,6-13,15-18H,2-3,5,14,19-20H2,1H3,(H2-,30,32,34,35,36)/p+1