6,7-dimethoxy-3-(2-methoxyphenyl)-4-[(E)-2-methylsulfonylethenyl]isoquinoline

Systemtic Name: 6,7-dimethoxy-3-(2-methoxyphenyl)-4-[(E)-2-methylsulfonylethenyl]isoquinoline Openeye Name: 6,7-dimethoxy-3-(2-methoxyphenyl)-4-[(E)-2-methylsulfonylvinyl]isoquinoline CAS Name: 6,7-dimethoxy-3-(2-methoxyphenyl)-4-[(E)-2-methylsulfonylethenyl]isoquinoline IUPAC Name: 6,7-dimethoxy-3-(2-methoxyphenyl)-4-[(E)-2-methylsulfonylethenyl]isoquinoline Traditional Name: 4-[(E)-2-mesylvinyl]-6,7-dimethoxy-3-(2-methoxyphenyl)isoquinoline Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C3=CC(=C(C=C3C=N2)OC)OC)C=CS(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1C2=C(C3=CC(=C(C=C3C=N2)OC)OC)/C=C/S(=O)(=O)C

InChI

InChI=1S/C21H21NO5S/c1-25-18-8-6-5-7-16(18)21-15(9-10-28(4,23)24)17-12-20(27-3)19(26-2)11-14(17)13-22-21/h5-13H,1-4H3/b10-9+