6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-(phenylmethyl)sulfonyl-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-(phenylmethyl)sulfonyl-1H-isoquinoline Openeye Name: 2-benzylsulfonyl-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1H-isoquinoline CAS Name: 6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-(phenylmethyl)sulfonyl-1H-isoquinoline IUPAC Name: 2-benzylsulfonyl-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1H-isoquinoline Traditional Name: 2-benzylsulfonyl-6,7-dimethoxy-1-p-anisyl-1H-isoquinoline Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2C3=CC(=C(C=C3C=CN2S(=O)(=O)CC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CC2C3=CC(=C(C=C3C=CN2S(=O)(=O)CC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C26H27NO5S/c1-30-22-11-9-19(10-12-22)15-24-23-17-26(32-3)25(31-2)16-21(23)13-14-27(24)33(28,29)18-20-7-5-4-6-8-20/h4-14,16-17,24H,15,18H2,1-3H3