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

Systemtic Name: 5,5-dimethyl-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-(1-tosylisonipecotoyl)cyclohexane-1,3-quinone Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)C3C(=O)CC(CC3=O)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)C3C(=O)CC(CC3=O)(C)C

InChI

InChI=1S/C21H27NO5S/c1-14-4-6-16(7-5-14)28(26,27)22-10-8-15(9-11-22)20(25)19-17(23)12-21(2,3)13-18(19)24/h4-7,15,19H,8-13H2,1-3H3