(2S)-N-[2-chloranyl-5-(diethylsulfamoyl)phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[2-chloranyl-5-(diethylsulfamoyl)phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C17H26ClN4O4S+ MolecularWeight: 417.93074

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)[NH+]2CCNC(=O)C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)[C@H](C)[NH+]2CCNC(=O)C2

InChI

InChI=1S/C17H25ClN4O4S/c1-4-22(5-2)27(25,26)13-6-7-14(18)15(10-13)20-17(24)12(3)21-9-8-19-16(23)11-21/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,23)(H,20,24)/p+1/t12-/m0/s1