(2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(3-oxopiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-oxo-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-oxopiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(3-ketopiperazin-1-ium-1-yl)propionamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-5-22(6-2)27(25,26)16-11-15(8-7-13(16)3)20-18(24)14(4)21-10-9-19-17(23)12-21/h7-8,11,14H,5-6,9-10,12H2,1-4H3,(H,19,23)(H,20,24)/p+1/t14-/m0/s1