N-(3-methylsulfonylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methylsulfonylphenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-methylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(3-methylsulfonylphenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(3-methylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(3-mesylphenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H14N2O4S2/c1-22(19,20)12-6-4-5-11(9-12)15-13(17)10-21-14-7-2-3-8-16(14)18/h2-9H,10H2,1H3,(H,15,17)