2-(4-bromanylphenoxy)ethyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-methyl-azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-methyl-azanium Openeye Name: 2-(4-bromophenoxy)ethyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-methyl-ammonium CAS Name: 2-(4-bromophenoxy)ethyl-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl]-methylammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl]-methylazanium Traditional Name: 2-(4-bromophenoxy)ethyl-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]-methyl-ammonium Formula: C21H28BrN4O3S+ MolecularWeight: 496.44102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CCOC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](C)CCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H27BrN4O3S/c1-3-4-11-26-20-10-9-18(30(23,27)28)14-19(20)24-21(26)15-25(2)12-13-29-17-7-5-16(22)6-8-17/h5-10,14H,3-4,11-13,15H2,1-2H3,(H2,23,27,28)/p+1