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

Systemtic Name: 5-[2-[2-(3-methoxyphenyl)carbonyl-5-methylsulfonyl-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[2-[2-(3-methoxybenzoyl)-5-methylsulfonyl-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-[2-[(3-methoxyphenyl)-oxomethyl]-5-methylsulfonyl-1-pyrrolyl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-[2-(3-methoxybenzoyl)-5-methylsulfonylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-(2-m-anisoyl-5-mesyl-pyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C21H23NO8S MolecularWeight: 449.47422

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO8S/c1-21(2)29-19(24)15(20(25)30-21)10-11-22-16(8-9-17(22)31(4,26)27)18(23)13-6-5-7-14(12-13)28-3/h5-9,12,15H,10-11H2,1-4H3