(2R)-N-(2-chloranyl-4-nitro-phenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-chloranyl-4-nitro-phenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-[4-(diethylsulfamoyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-chloro-4-nitrophenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]propionamide Formula: C17H27ClN5O5S+ MolecularWeight: 448.94478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN5O5S/c1-4-21(5-2)29(27,28)22-10-8-20(9-11-22)13(3)17(24)19-16-7-6-14(23(25)26)12-15(16)18/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,19,24)/p+1/t13-/m1/s1