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

Systemtic Name: dimethyl 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6,7-dicarboxylate Openeye Name: dimethyl 2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-6,7-dicarboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-6,7-dicarboxylate Traditional Name: 2-tosyl-3,4-dihydro-1H-isoquinoline-6,7-dicarboxylic acid dimethyl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H21NO6S/c1-13-4-6-16(7-5-13)28(24,25)21-9-8-14-10-17(19(22)26-2)18(20(23)27-3)11-15(14)12-21/h4-7,10-11H,8-9,12H2,1-3H3