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

Systemtic Name: [1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidophenyl)-1-oxopropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)C(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H19NO5S/c1-12-4-10-17(11-5-12)25(22,23)24-13(2)18(21)15-6-8-16(9-7-15)19-14(3)20/h4-11,13H,1-3H3,(H,19,20)