(2R)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Openeye Name: (2R)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide CAS Name: (2R)-2-[4-(diethylsulfamoyl)-1-piperazin-1-iumyl]-N-(3-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]-N-(3-nitrophenyl)propionamide Formula: C17H28N5O5S+ MolecularWeight: 414.49972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O5S/c1-4-20(5-2)28(26,27)21-11-9-19(10-12-21)14(3)17(23)18-15-7-6-8-16(13-15)22(24)25/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,18,23)/p+1/t14-/m1/s1