(2R)-N-(4-bromophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[4-(diethylsulfamoyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(4-bromophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]propionamide Formula: C17H28BrN4O3S+ MolecularWeight: 448.39822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27BrN4O3S/c1-4-21(5-2)26(24,25)22-12-10-20(11-13-22)14(3)17(23)19-16-8-6-15(18)7-9-16/h6-9,14H,4-5,10-13H2,1-3H3,(H,19,23)/p+1/t14-/m1/s1