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

Systemtic Name: methyl 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoate Openeye Name: methyl 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoate CAS Name: 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoate Traditional Name: 3-[(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(=C3)C(=O)OC)OC

Isomeric SMILES

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

InChI

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