(2-oxidanylidene-3-oxa-1-azabicyclo[2.2.1]heptan-6-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-3-oxa-1-azabicyclo[2.2.1]heptan-6-yl)methyl 4-methylbenzenesulfonate Openeye Name: (2-oxo-3-oxa-1-azabicyclo[2.2.1]heptan-6-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-oxo-3-oxa-1-azabicyclo[2.2.1]heptan-6-yl)methyl ester IUPAC Name: (2-oxo-3-oxa-1-azabicyclo[2.2.1]heptan-6-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-3-oxa-1-azabicyclo[2.2.1]heptan-6-yl)methyl ester Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3CN2C(=O)O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3CN2C(=O)O3

InChI

InChI=1S/C13H15NO5S/c1-9-2-4-12(5-3-9)20(16,17)18-8-10-6-11-7-14(10)13(15)19-11/h2-5,10-11H,6-8H2,1H3