dimethyl 2-(4-methylphenyl)sulfonyl-3,4,4a,7-tetrahydro-1H-isoquinoline-5,6-dicarboxylate

Systemtic Name: dimethyl 2-(4-methylphenyl)sulfonyl-3,4,4a,7-tetrahydro-1H-isoquinoline-5,6-dicarboxylate Openeye Name: dimethyl 2-(p-tolylsulfonyl)-3,4,4a,7-tetrahydro-1H-isoquinoline-5,6-dicarboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-3,4,4a,7-tetrahydro-1H-isoquinoline-5,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(4-methylphenyl)sulfonyl-3,4,4a,7-tetrahydro-1H-isoquinoline-5,6-dicarboxylate Traditional Name: 2-tosyl-3,4,4a,7-tetrahydro-1H-isoquinoline-5,6-dicarboxylic acid dimethyl ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3C(=CCC(=C3C(=O)OC)C(=O)OC)C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3C(=CCC(=C3C(=O)OC)C(=O)OC)C2

InChI

InChI=1S/C20H23NO6S/c1-13-4-7-15(8-5-13)28(24,25)21-11-10-16-14(12-21)6-9-17(19(22)26-2)18(16)20(23)27-3/h4-8,16H,9-12H2,1-3H3