2-[4-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C21H33N6O3S+ MolecularWeight: 449.59012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CN3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C21H32N6O3S/c1-2-3-8-27-19-7-6-17(31(22,29)30)13-18(19)24-20(27)14-25-9-11-26(12-10-25)15-21(28)23-16-4-5-16/h6-7,13,16H,2-5,8-12,14-15H2,1H3,(H,23,28)(H2,22,29,30)/p+1