tert-butyl 5-[(4-methylphenyl)sulfonyloxymethyl]-7-oxidanylidene-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate

Systemtic Name: tert-butyl 5-[(4-methylphenyl)sulfonyloxymethyl]-7-oxidanylidene-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate Openeye Name: tert-butyl 7-oxo-5-(p-tolylsulfonyloxymethyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate CAS Name: 5-[(4-methylphenyl)sulfonyloxymethyl]-7-oxo-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[(4-methylphenyl)sulfonyloxymethyl]-7-oxo-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylate Traditional Name: 7-keto-5-(tosyloxymethyl)-3,3a,4,5,6,7a-hexahydro-1H-isoindole-2-carboxylic acid tert-butyl ester Formula: C21H29NO6S MolecularWeight: 423.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3CN(CC3C(=O)C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC3CN(CC3C(=O)C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO6S/c1-14-5-7-17(8-6-14)29(25,26)27-13-15-9-16-11-22(12-18(16)19(23)10-15)20(24)28-21(2,3)4/h5-8,15-16,18H,9-13H2,1-4H3