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

Systemtic Name: [4-methyl-3-methylidene-2,5-bis(oxidanylidene)piperazin-1-yl] 4-methylbenzenesulfonate Openeye Name: (4-methyl-3-methylene-2,5-dioxo-piperazin-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-methyl-3-methylene-2,5-dioxo-1-piperazinyl) ester IUPAC Name: (4-methyl-3-methylidene-2,5-dioxopiperazin-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,5-diketo-4-methyl-3-methylene-piperazino) ester Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2CC(=O)N(C(=C)C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2CC(=O)N(C(=C)C2=O)C

InChI

InChI=1S/C13H14N2O5S/c1-9-4-6-11(7-5-9)21(18,19)20-15-8-12(16)14(3)10(2)13(15)17/h4-7H,2,8H2,1,3H3