[(1R)-1-[(3aS,5S,6R,6aS)-2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-6-oxidanyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]-2-cyano-ethyl] benzoate

Systemtic Name: [(1R)-1-[(3aS,5S,6R,6aS)-2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-6-oxidanyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]-2-cyano-ethyl] benzoate Openeye Name: [(1R)-1-[(3aS,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-5-(p-tolylsulfonyloxymethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]-2-cyano-ethyl] benzoate CAS Name: benzoic acid [(1R)-1-[(3aS,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]-2-cyanoethyl] ester IUPAC Name: [(1R)-1-[(3aS,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-5-[(4-methylphenyl)sulfonyloxymethyl]-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]-2-cyanoethyl] benzoate Traditional Name: benzoic acid [(1R)-1-[(3aS,5S,6R,6aS)-6-hydroxy-2,2-dimethyl-5-(tosyloxymethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-3a-yl]-2-cyano-ethyl] ester Formula: C25H27NO9S MolecularWeight: 517.54818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C3C(O2)(OC(O3)(C)C)C(CC#N)OC(=O)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@H]([C@H]3[C@@](O2)(OC(O3)(C)C)[C@@H](CC#N)OC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C25H27NO9S/c1-16-9-11-18(12-10-16)36(29,30)31-15-19-21(27)22-25(33-19,35-24(2,3)34-22)20(13-14-26)32-23(28)17-7-5-4-6-8-17/h4-12,19-22,27H,13,15H2,1-3H3/t19-,20+,21+,22-,25-/m0/s1