[(3R,4E,5R)-5-acetyloxy-4-[(4-methylphenyl)sulfonylhydrazinylidene]oxan-3-yl] benzoate

Systemtic Name: [(3R,4E,5R)-5-acetyloxy-4-[(4-methylphenyl)sulfonylhydrazinylidene]oxan-3-yl] benzoate Openeye Name: [(3R,4E,5R)-5-acetoxy-4-(p-tolylsulfonylhydrazono)tetrahydropyran-3-yl] benzoate CAS Name: benzoic acid [(3R,4E,5R)-5-acetyloxy-4-[(4-methylphenyl)sulfonylhydrazinylidene]-3-oxanyl] ester IUPAC Name: [(3R,4E,5R)-5-acetyloxy-4-[(4-methylphenyl)sulfonylhydrazinylidene]oxan-3-yl] benzoate Traditional Name: benzoic acid [(3R,4E,5R)-5-acetoxy-4-(tosylhydrazono)tetrahydropyran-3-yl] ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN=C2C(COCC2OC(=O)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\[C@H](COC[C@@H]2OC(=O)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C21H22N2O7S/c1-14-8-10-17(11-9-14)31(26,27)23-22-20-18(29-15(2)24)12-28-13-19(20)30-21(25)16-6-4-3-5-7-16/h3-11,18-19,23H,12-13H2,1-2H3/b22-20+/t18-,19-/m0/s1