[(2R,3R,4R,5R)-4-acetyloxy-5-azido-3-cyano-3-methylsulfonyloxy-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-4-acetyloxy-5-azido-3-cyano-3-methylsulfonyloxy-oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-4-acetoxy-5-azido-3-cyano-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-4-acetyloxy-5-azido-3-cyano-3-methylsulfonyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-4-acetyloxy-5-azido-3-cyano-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-4-acetoxy-5-azido-3-cyano-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H16N4O8S MolecularWeight: 424.38524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(OC(C1(C#N)OS(=O)(=O)C)COC(=O)C2=CC=CC=C2)N=[N+]=[N-]

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](O[C@@H]([C@@]1(C#N)OS(=O)(=O)C)COC(=O)C2=CC=CC=C2)N=[N+]=[N-]

InChI

InChI=1S/C16H16N4O8S/c1-10(21)26-13-14(19-20-18)27-12(16(13,9-17)28-29(2,23)24)8-25-15(22)11-6-4-3-5-7-11/h3-7,12-14H,8H2,1-2H3/t12-,13+,14-,16-/m1/s1