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

Systemtic Name: methyl 2-[6,7-dimethoxy-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-(benzenesulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(benzenesulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(benzenesulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-(2-besyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl)acetic acid methyl ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=CC=C3)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=CC=C3)CC(=O)OC)OC

InChI

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