[(2S)-2-[(2S)-4-oxidanylideneazetidin-2-yl]oxy-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-2-[(2S)-4-oxidanylideneazetidin-2-yl]oxy-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-4-benzyloxy-2-[(2S)-4-oxoazetidin-2-yl]oxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-2-[[(2S)-4-oxo-2-azetidinyl]oxy]-4-phenylmethoxybutyl] ester IUPAC Name: [(2S)-2-[(2S)-4-oxoazetidin-2-yl]oxy-4-phenylmethoxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-4-benzoxy-2-[(2S)-4-ketoazetidin-2-yl]oxy-butyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CCOCC2=CC=CC=C2)OC3CC(=O)N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](CCOCC2=CC=CC=C2)O[C@H]3CC(=O)N3

InChI

InChI=1S/C21H25NO6S/c1-16-7-9-19(10-8-16)29(24,25)27-15-18(28-21-13-20(23)22-21)11-12-26-14-17-5-3-2-4-6-17/h2-10,18,21H,11-15H2,1H3,(H,22,23)/t18-,21-/m0/s1