5,5-dimethyl-2-[1-(phenylsulfonyl)piperidin-4-yl]carbonyl-cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[1-(phenylsulfonyl)piperidin-4-yl]carbonyl-cyclohexane-1,3-dione Openeye Name: 2-[1-(benzenesulfonyl)piperidine-4-carbonyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[1-(benzenesulfonyl)piperidine-4-carbonyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(1-besylisonipecotoyl)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H25NO5S/c1-20(2)12-16(22)18(17(23)13-20)19(24)14-8-10-21(11-9-14)27(25,26)15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3