(1Z)-N,N-dimethyl-1-[2-methylperoxysulfanyl-6-(phenylmethyl)pyran-4-ylidene]-1-nitro-methanesulfonamide

Systemtic Name: (1Z)-N,N-dimethyl-1-[2-methylperoxysulfanyl-6-(phenylmethyl)pyran-4-ylidene]-1-nitro-methanesulfonamide Openeye Name: (1Z)-1-(2-benzyl-6-methylperoxysulfanyl-pyran-4-ylidene)-N,N-dimethyl-1-nitro-methanesulfonamide CAS Name: (4Z)-4-[dimethylsulfamoyl(nitro)methylidene]-6-(phenylmethyl)-2-pyransulfenic acid methoxy ester IUPAC Name: (1Z)-1-(2-benzyl-6-methylperoxysulfanylpyran-4-ylidene)-N,N-dimethyl-1-nitromethanesulfonamide Traditional Name: (1Z)-1-[2-benzyl-6-(methylperoxythio)pyran-4-ylidene]-N,N-dimethyl-1-nitro-methanesulfonamide Formula: C16H18N2O7S2 MolecularWeight: 414.45332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C(=C1C=C(OC(=C1)SOOC)CC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)/C(=C\1/C=C(OC(=C1)SOOC)CC2=CC=CC=C2)/[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O7S2/c1-17(2)27(21,22)16(18(19)20)13-10-14(9-12-7-5-4-6-8-12)24-15(11-13)26-25-23-3/h4-8,10-11H,9H2,1-3H3/b16-13-