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

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-4-9-14-13(15)11(3)18-19(16,17)12-7-5-10(2)6-8-12/h4-8,11H,1,9H2,2-3H3,(H,14,15)