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

Systemtic Name: 6,7-dimethoxy-4-[(E)-2-methylsulfonylethenyl]-3-phenyl-isoquinoline Openeye Name: 6,7-dimethoxy-4-[(E)-2-methylsulfonylvinyl]-3-phenyl-isoquinoline CAS Name: 6,7-dimethoxy-4-[(E)-2-methylsulfonylethenyl]-3-phenylisoquinoline IUPAC Name: 6,7-dimethoxy-4-[(E)-2-methylsulfonylethenyl]-3-phenylisoquinoline Traditional Name: 4-[(E)-2-mesylvinyl]-6,7-dimethoxy-3-phenyl-isoquinoline Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NC(=C2C=CS(=O)(=O)C)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NC(=C2/C=C/S(=O)(=O)C)C3=CC=CC=C3)OC

InChI

InChI=1S/C20H19NO4S/c1-24-18-11-15-13-21-20(14-7-5-4-6-8-14)16(9-10-26(3,22)23)17(15)12-19(18)25-2/h4-13H,1-3H3/b10-9+