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

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C22H25NO8S MolecularWeight: 463.5008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC4=C(C=C3)OCCO4)CC(=O)OC)OC

InChI

InChI=1S/C22H25NO8S/c1-27-19-10-14-6-7-23(17(13-22(24)29-3)16(14)12-20(19)28-2)32(25,26)15-4-5-18-21(11-15)31-9-8-30-18/h4-5,10-12,17H,6-9,13H2,1-3H3