1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylmethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2CS(=O)(=O)C3=CC4=C(C=C3)OCCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2CS(=O)(=O)C3=CC4=C(C=C3)OCCO4)OC

InChI

InChI=1S/C20H21NO6S/c1-24-18-9-13-5-6-21-16(15(13)11-19(18)25-2)12-28(22,23)14-3-4-17-20(10-14)27-8-7-26-17/h3-4,9-11H,5-8,12H2,1-2H3