ethyl 6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Openeye Name: ethyl 6,7-dimethoxy-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate CAS Name: 6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-1-carboxylate Traditional Name: 6,7-dimethoxy-2-tosyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid ethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=CC(=C(C=C2CCN1S(=O)(=O)C3=CC=C(C=C3)C)OC)OC

Isomeric SMILES

CCOC(=O)C1C2=CC(=C(C=C2CCN1S(=O)(=O)C3=CC=C(C=C3)C)OC)OC

InChI

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