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

Systemtic Name: 5-[2-[2-(3-ethylphenyl)carbonyl-5-methylsulfonyl-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[2-[2-(3-ethylbenzoyl)-5-methylsulfonyl-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-[2-[(3-ethylphenyl)-oxomethyl]-5-methylsulfonyl-1-pyrrolyl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-[2-(3-ethylbenzoyl)-5-methylsulfonylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-[2-(3-ethylbenzoyl)-5-mesyl-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C22H25NO7S MolecularWeight: 447.5014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=O)C2=CC=C(N2CCC3C(=O)OC(OC3=O)(C)C)S(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC(=C1)C(=O)C2=CC=C(N2CCC3C(=O)OC(OC3=O)(C)C)S(=O)(=O)C

InChI

InChI=1S/C22H25NO7S/c1-5-14-7-6-8-15(13-14)19(24)17-9-10-18(31(4,27)28)23(17)12-11-16-20(25)29-22(2,3)30-21(16)26/h6-10,13,16H,5,11-12H2,1-4H3