5,5-dimethyl-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]cyclohexane-1,3-dione Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-(4-besylpiperazino)-2-keto-ethyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H26N2O5S/c1-20(2)13-17(23)16(18(24)14-20)12-19(25)21-8-10-22(11-9-21)28(26,27)15-6-4-3-5-7-15/h3-7,16H,8-14H2,1-2H3