2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-(diethylsulfamoyl)-1-piperazin-1-iumyl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[4-(diethylsulfamoyl)piperazin-1-ium-1-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C22H31N4O3S2+ MolecularWeight: 463.63654

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O3S2/c1-3-25(4-2)31(28,29)26-16-14-24(15-17-26)18-22(27)23-20-12-8-9-13-21(20)30-19-10-6-5-7-11-19/h5-13H,3-4,14-18H2,1-2H3,(H,23,27)/p+1