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

Systemtic Name: 2,2-dimethyl-5-[2-[3-methyl-5-methylsulfonyl-2-(phenylcarbonyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione Openeye Name: 5-[2-(2-benzoyl-3-methyl-5-methylsulfonyl-pyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-(2-benzoyl-3-methyl-5-methylsulfonyl-1-pyrrolyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-(2-benzoyl-3-methyl-5-methylsulfonylpyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-(2-benzoyl-5-mesyl-3-methyl-pyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1)S(=O)(=O)C)CCC2C(=O)OC(OC2=O)(C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N(C(=C1)S(=O)(=O)C)CCC2C(=O)OC(OC2=O)(C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO7S/c1-13-12-16(30(4,26)27)22(17(13)18(23)14-8-6-5-7-9-14)11-10-15-19(24)28-21(2,3)29-20(15)25/h5-9,12,15H,10-11H2,1-4H3