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

Systemtic Name: [3,4-dimethyl-2,5-bis(oxidanylidene)piperazin-1-yl] 4-methylbenzenesulfonate Openeye Name: (3,4-dimethyl-2,5-dioxo-piperazin-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3,4-dimethyl-2,5-dioxo-1-piperazinyl) ester IUPAC Name: (3,4-dimethyl-2,5-dioxopiperazin-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,5-diketo-3,4-dimethyl-piperazino) ester Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5S/c1-9-4-6-11(7-5-9)21(18,19)20-15-8-12(16)14(3)10(2)13(15)17/h4-7,10H,8H2,1-3H3