(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C21H30N5O3S2+ MolecularWeight: 464.6246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](CC)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+](CC)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H29N5O3S2/c1-3-5-10-26-19-9-8-17(31(22,28)29)12-18(19)24-20(26)14-25(4-2)15-21(27)23-13-16-7-6-11-30-16/h6-9,11-12H,3-5,10,13-15H2,1-2H3,(H,23,27)(H2,22,28,29)/p+1