(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-methyl-[4-(trifluoromethyl)benzyl]ammonium Formula: C21H26F3N4O2S+ MolecularWeight: 455.51695

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O2S/c1-3-4-11-28-19-10-9-17(31(25,29)30)12-18(19)26-20(28)14-27(2)13-15-5-7-16(8-6-15)21(22,23)24/h5-10,12H,3-4,11,13-14H2,1-2H3,(H2,25,29,30)/p+1