(1-acetamido-3-oxidanylidene-propan-2-yl) 4-methylbenzenesulfonate

Systemtic Name: (1-acetamido-3-oxidanylidene-propan-2-yl) 4-methylbenzenesulfonate Openeye Name: [1-(acetamidomethyl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (1-acetamido-3-oxopropan-2-yl) ester IUPAC Name: (1-acetamido-3-oxopropan-2-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(acetamidomethyl)-2-keto-ethyl] ester Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-9-3-5-12(6-4-9)19(16,17)18-11(8-14)7-13-10(2)15/h3-6,8,11H,7H2,1-2H3,(H,13,15)