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

Systemtic Name: 2-butyl-1-[[4-[2-(propan-2-ylcarbamoylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid Openeye Name: 2-butyl-1-[[4-[2-(isopropylcarbamoylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid CAS Name: 2-butyl-1-[[4-[2-[[oxo-(propan-2-ylamino)methyl]sulfamoyl]phenyl]phenyl]methyl]-1-benzimidazol-1-iumcarboxylic acid IUPAC Name: 2-butyl-1-[[4-[2-(propan-2-ylcarbamoylsulfamoyl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-carboxylic acid Traditional Name: 2-butyl-1-[4-[2-(isopropylcarbamoylsulfamoyl)phenyl]benzyl]benzimidazol-1-ium-1-carboxylic acid Formula: C29H33N4O5S+ MolecularWeight: 549.66112

Click to see the large picture

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)NC(C)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)NC(C)C)C(=O)O

InChI

InChI=1S/C29H32N4O5S/c1-4-5-14-27-31-24-11-7-8-12-25(24)33(27,29(35)36)19-21-15-17-22(18-16-21)23-10-6-9-13-26(23)39(37,38)32-28(34)30-20(2)3/h6-13,15-18,20H,4-5,14,19H2,1-3H3,(H2-,30,32,34,35,36)/p+1