methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C23H27NO8S MolecularWeight: 477.52738

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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)OCCCO4)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)CC(=O)OC)OC

InChI

InChI=1S/C23H27NO8S/c1-28-20-11-15-7-8-24(18(14-23(25)30-3)17(15)13-21(20)29-2)33(26,27)16-5-6-19-22(12-16)32-10-4-9-31-19/h5-6,11-13,18H,4,7-10,14H2,1-3H3