N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-(diethylsulfamoyl)benzyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H23N3O4S2/c1-3-20(4-2)27(24,25)16-10-8-15(9-11-16)13-19-17(22)14-26-18-7-5-6-12-21(18)23/h5-12H,3-4,13-14H2,1-2H3,(H,19,22)