N-tert-butyl-2-[4-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[5-(dimethylsulfamoyl)-1-ethyl-2-benzimidazolyl]methyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]methyl]-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[5-(dimethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]methyl]-1,4-diazepan-1-ium-1-yl]acetamide Formula: C23H39N6O3S+ MolecularWeight: 479.65916

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C23H38N6O3S/c1-7-29-20-10-9-18(33(31,32)26(5)6)15-19(20)24-21(29)16-27-11-8-12-28(14-13-27)17-22(30)25-23(2,3)4/h9-10,15H,7-8,11-14,16-17H2,1-6H3,(H,25,30)/p+1