N-methyl-N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]methanesulfonamide

Systemtic Name: N-methyl-N-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]methanesulfonamide Openeye Name: N-methyl-N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]methanesulfonamide CAS Name: N-methyl-N-[4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-methyl-N-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]methanesulfonamide Traditional Name: N-methyl-N-[4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]phenyl]methanesulfonamide Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4S2/c1-16(23(2,20)21)13-8-6-12(7-9-13)14(18)11-22-15-5-3-4-10-17(15)19/h3-10H,11H2,1-2H3