[2,4,5-trimethyl-3,6-bis(oxidanylidene)piperazin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2,4,5-trimethyl-3,6-bis(oxidanylidene)piperazin-1-yl] 4-methylbenzenesulfonate Openeye Name: (2,4,5-trimethyl-3,6-dioxo-piperazin-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,4,5-trimethyl-3,6-dioxo-1-piperazinyl) ester IUPAC Name: (2,4,5-trimethyl-3,6-dioxopiperazin-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,5-diketo-3,4,6-trimethyl-piperazino) ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(C(=O)N1C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1C(=O)N(C(C(=O)N1C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H18N2O5S/c1-9-5-7-12(8-6-9)22(19,20)21-16-11(3)13(17)15(4)10(2)14(16)18/h5-8,10-11H,1-4H3