tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate Openeye Name: tert-butyl 4-(p-tolylsulfonyloxymethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate CAS Name: 4-[(4-methylphenyl)sulfonyloxymethyl]-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-methylphenyl)sulfonyloxymethyl]-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylate Traditional Name: 4-(tosyloxymethyl)-1,3,3a,4,5,7a-hexahydroisoindole-2-carboxylic acid tert-butyl ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC=CC3C2CN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC=CC3C2CN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29NO5S/c1-15-8-10-18(11-9-15)28(24,25)26-14-17-7-5-6-16-12-22(13-19(16)17)20(23)27-21(2,3)4/h5-6,8-11,16-17,19H,7,12-14H2,1-4H3