5-methyl-4-(4-methylsulfonylphenyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-one

Systemtic Name: 5-methyl-4-(4-methylsulfonylphenyl)-1,1-bis(oxidanylidene)-1,2-thiazol-3-one Openeye Name: 5-methyl-4-(4-methylsulfonylphenyl)-1,1-dioxo-isothiazol-3-one CAS Name: 5-methyl-4-(4-methylsulfonylphenyl)-1,1-dioxo-3-isothiazolone IUPAC Name: 5-methyl-4-(4-methylsulfonylphenyl)-1,1-dioxo-1,2-thiazol-3-one Traditional Name: 1,1-diketo-4-(4-mesylphenyl)-5-methyl-isothiazol-3-one Formula: C11H11NO5S2 MolecularWeight: 301.33874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NS1(=O)=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)NS1(=O)=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C11H11NO5S2/c1-7-10(11(13)12-19(7,16)17)8-3-5-9(6-4-8)18(2,14)15/h3-6H,1-2H3,(H,12,13)