[1-(methylamino)-1-oxidanylidene-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(methylamino)-1-oxidanylidene-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-methyl-2-(methylamino)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(methylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylamino)-1-oxopropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-1-methyl-2-(methylamino)ethyl] ester Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)NC

InChI

InChI=1S/C11H15NO4S/c1-8-4-6-10(7-5-8)17(14,15)16-9(2)11(13)12-3/h4-7,9H,1-3H3,(H,12,13)