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

Systemtic Name: 2,2-dimethyl-5-[2-[2-methylsulfonyl-5-(4-propanoylphenyl)carbonyl-pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[2-[2-methylsulfonyl-5-(4-propanoylbenzoyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[2-[2-methylsulfonyl-5-[oxo-[4-(1-oxopropyl)phenyl]methyl]-1-pyrrolyl]ethyl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[2-[2-methylsulfonyl-5-(4-propanoylbenzoyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione Traditional Name: 5-[2-[2-mesyl-5-(4-propionylbenzoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C23H25NO8S MolecularWeight: 475.5115

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(N2CCC3C(=O)OC(OC3=O)(C)C)S(=O)(=O)C

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(N2CCC3C(=O)OC(OC3=O)(C)C)S(=O)(=O)C

InChI

InChI=1S/C23H25NO8S/c1-5-18(25)14-6-8-15(9-7-14)20(26)17-10-11-19(33(4,29)30)24(17)13-12-16-21(27)31-23(2,3)32-22(16)28/h6-11,16H,5,12-13H2,1-4H3