5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]isoquinoline

Systemtic Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]isoquinoline Openeye Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]isoquinoline CAS Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]isoquinoline IUPAC Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]isoquinoline Traditional Name: 5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]isoquinoline Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)S(=O)(=O)C3=CC=CC4=C3C=CN=C4)OC

InChI

InChI=1S/C20H20N2O4S/c1-25-18-10-14-7-9-22(13-16(14)11-19(18)26-2)27(23,24)20-5-3-4-15-12-21-8-6-17(15)20/h3-6,8,10-12H,7,9,13H2,1-2H3