[(1R,5R,8R)-3-oxidanylidene-4-azabicyclo[3.2.1]octan-8-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,5R,8R)-3-oxidanylidene-4-azabicyclo[3.2.1]octan-8-yl] 4-methylbenzenesulfonate Openeye Name: [(1R,5R,8R)-3-oxo-4-azabicyclo[3.2.1]octan-8-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,5R,8R)-3-oxo-4-azabicyclo[3.2.1]octan-8-yl] ester IUPAC Name: [(1R,5R,8R)-3-oxo-4-azabicyclo[3.2.1]octan-8-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,5R,8R)-3-keto-4-azabicyclo[3.2.1]octan-8-yl] ester Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C3CCC2NC(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@@H]3CC[C@H]2NC(=O)C3

InChI

InChI=1S/C14H17NO4S/c1-9-2-5-11(6-3-9)20(17,18)19-14-10-4-7-12(14)15-13(16)8-10/h2-3,5-6,10,12,14H,4,7-8H2,1H3,(H,15,16)/t10-,12-,14-/m1/s1