N-(4-bromanyl-2-methyl-phenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[4-(diethylsulfamoyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]acetamide Formula: C17H28BrN4O3S+ MolecularWeight: 448.39822

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C17H27BrN4O3S/c1-4-21(5-2)26(24,25)22-10-8-20(9-11-22)13-17(23)19-16-7-6-15(18)12-14(16)3/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,19,23)/p+1