N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-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)C)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S2/c1-4-20(5-2)27(24,25)15-10-9-14(3)16(12-15)19-17(22)13-26-18-8-6-7-11-21(18)23/h6-12H,4-5,13H2,1-3H3,(H,19,22)