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

Systemtic Name: methyl 2-(4-methylphenyl)sulfonyl-1,3,4,5,6,7-hexahydroisoindole-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4S/c1-12-3-7-16(8-4-12)23(20,21)18-10-14-6-5-13(17(19)22-2)9-15(14)11-18/h3-4,7-8,13H,5-6,9-11H2,1-2H3