[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 4-oxidanylidenepentanoate

Systemtic Name: [2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 4-oxidanylidenepentanoate Openeye Name: [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 4-oxopentanoate CAS Name: 4-oxopentanoic acid [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 4-oxopentanoate Traditional Name: 4-ketovaleric acid [2-keto-2-(4-mesitylsulfonylpiperazino)ethyl] ester Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)COC(=O)CCC(=O)C)C

InChI

InChI=1S/C20H28N2O6S/c1-14-11-15(2)20(16(3)12-14)29(26,27)22-9-7-21(8-10-22)18(24)13-28-19(25)6-5-17(4)23/h11-12H,5-10,13H2,1-4H3