diethyl (5S,6S)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylate

Systemtic Name: diethyl (5S,6S)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylate Openeye Name: diethyl (5S,6S)-1-(p-tolylsulfonyl)-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylate CAS Name: (5S,6S)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl (5S,6S)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylate Traditional Name: (5S,6S)-1-tosyl-4,5,6,7-tetrahydro-2H-isoindole-5,6-dicarboxylic acid diethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CNC(=C2CC1C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1CC2=CNC(=C2C[C@@H]1C(=O)OCC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO6S/c1-4-27-20(23)17-10-14-12-22-19(16(14)11-18(17)21(24)28-5-2)29(25,26)15-8-6-13(3)7-9-15/h6-9,12,17-18,22H,4-5,10-11H2,1-3H3/t17-,18-/m0/s1