[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 3,3-dimethylbutanoate

Systemtic Name: [2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 3,3-dimethylbutanoate Openeye Name: [2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic 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] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-keto-2-(4-mesitylsulfonylpiperazino)ethyl] ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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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)CC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5S/c1-15-11-16(2)20(17(3)12-15)29(26,27)23-9-7-22(8-10-23)18(24)14-28-19(25)13-21(4,5)6/h11-12H,7-10,13-14H2,1-6H3