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

Systemtic Name: 5-[2-[3-butyl-5-methylsulfonyl-2-(phenylcarbonyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[2-(2-benzoyl-3-butyl-5-methylsulfonyl-pyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-(2-benzoyl-3-butyl-5-methylsulfonyl-1-pyrrolyl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-(2-benzoyl-3-butyl-5-methylsulfonylpyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-(2-benzoyl-3-butyl-5-mesyl-pyrrol-1-yl)ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C24H29NO7S MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=C1)S(=O)(=O)C)CCC2C(=O)OC(OC2=O)(C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(N(C(=C1)S(=O)(=O)C)CCC2C(=O)OC(OC2=O)(C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H29NO7S/c1-5-6-10-17-15-19(33(4,29)30)25(20(17)21(26)16-11-8-7-9-12-16)14-13-18-22(27)31-24(2,3)32-23(18)28/h7-9,11-12,15,18H,5-6,10,13-14H2,1-4H3