methyl 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoate

Systemtic Name: methyl 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoate Openeye Name: methyl 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoate CAS Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoate Traditional Name: 2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid methyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC=CC=C3C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC=CC=C3C(=O)OC)OC

InChI

InChI=1S/C19H21NO6S/c1-24-16-10-13-8-9-20(12-14(13)11-17(16)25-2)27(22,23)18-7-5-4-6-15(18)19(21)26-3/h4-7,10-11H,8-9,12H2,1-3H3