[(2R,3R,4R,5R)-4-acetyloxy-5-(benzimidazol-1-yl)-3-cyano-3-methylsulfonyloxy-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2R,3R,4R,5R)-4-acetyloxy-5-(benzimidazol-1-yl)-3-cyano-3-methylsulfonyloxy-oxolan-2-yl]methyl benzoate Openeye Name: [(2R,3R,4R,5R)-4-acetoxy-5-(benzimidazol-1-yl)-3-cyano-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3R,4R,5R)-4-acetyloxy-5-(1-benzimidazolyl)-3-cyano-3-methylsulfonyloxy-2-oxolanyl]methyl ester IUPAC Name: [(2R,3R,4R,5R)-4-acetyloxy-5-(benzimidazol-1-yl)-3-cyano-3-methylsulfonyloxyoxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3R,4R,5R)-4-acetoxy-5-(benzimidazol-1-yl)-3-cyano-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl ester Formula: C23H21N3O8S MolecularWeight: 499.49314

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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)N3C=NC4=CC=CC=C43

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)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O8S/c1-15(27)32-20-21(26-14-25-17-10-6-7-11-18(17)26)33-19(23(20,13-24)34-35(2,29)30)12-31-22(28)16-8-4-3-5-9-16/h3-11,14,19-21H,12H2,1-2H3/t19-,20+,21-,23-/m1/s1