[(3R)-3-[(2R)-4-oxidanylideneazetidin-2-yl]oxybutyl] 4-methylbenzenesulfonate

Systemtic Name: [(3R)-3-[(2R)-4-oxidanylideneazetidin-2-yl]oxybutyl] 4-methylbenzenesulfonate Openeye Name: [(3R)-3-[(2R)-4-oxoazetidin-2-yl]oxybutyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3R)-3-[[(2R)-4-oxo-2-azetidinyl]oxy]butyl] ester IUPAC Name: [(3R)-3-[(2R)-4-oxoazetidin-2-yl]oxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3R)-3-[(2R)-4-ketoazetidin-2-yl]oxybutyl] ester Formula: C14H19NO5S MolecularWeight: 313.36936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)OC2CC(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@H](C)O[C@@H]2CC(=O)N2

InChI

InChI=1S/C14H19NO5S/c1-10-3-5-12(6-4-10)21(17,18)19-8-7-11(2)20-14-9-13(16)15-14/h3-6,11,14H,7-9H2,1-2H3,(H,15,16)/t11-,14-/m1/s1