2,2-dimethyl-5-[2-[2-methylsulfonyl-5-(phenylcarbonyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[2-[2-methylsulfonyl-5-(phenylcarbonyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione Openeye Name: 5-[2-(2-benzoyl-5-methylsulfonyl-pyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-(2-benzoyl-5-methylsulfonyl-1-pyrrolyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-(2-benzoyl-5-methylsulfonylpyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-(2-benzoyl-5-mesyl-pyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C20H21NO7S MolecularWeight: 419.44824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(=O)C(C(=O)O1)CCN2C(=CC=C2S(=O)(=O)C)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(OC(=O)C(C(=O)O1)CCN2C(=CC=C2S(=O)(=O)C)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H21NO7S/c1-20(2)27-18(23)14(19(24)28-20)11-12-21-15(9-10-16(21)29(3,25)26)17(22)13-7-5-4-6-8-13/h4-10,14H,11-12H2,1-3H3