tert-butyl 2-(4-methylphenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate

Systemtic Name: tert-butyl 2-(4-methylphenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate Openeye Name: tert-butyl 2-(p-tolylsulfonyl)-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-methylphenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate Traditional Name: 2-tosyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylic acid tert-butyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)CC(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=C(C2)CC(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27NO4S/c1-14-5-9-18(10-6-14)26(23,24)21-12-16-8-7-15(11-17(16)13-21)19(22)25-20(2,3)4/h5-6,9-10,15H,7-8,11-13H2,1-4H3