[(1R,3S)-5-iodanyl-6,8-dimethoxy-1-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl 2-diphenylphosphanylbenzoate

Systemtic Name: [(1R,3S)-5-iodanyl-6,8-dimethoxy-1-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl 2-diphenylphosphanylbenzoate Openeye Name: [(1R,3S)-5-iodo-6,8-dimethoxy-1-methyl-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl 2-diphenylphosphanylbenzoate CAS Name: 2-diphenylphosphinobenzoic acid [(1R,3S)-5-iodo-6,8-dimethoxy-1-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl ester IUPAC Name: [(1R,3S)-5-iodo-6,8-dimethoxy-1-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl 2-diphenylphosphanylbenzoate Traditional Name: 2-diphenylphosphinobenzoic acid [(1R,3S)-5-iodo-6,8-dimethoxy-1-methyl-2-tosyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl ester Formula: C39H37INO6PS MolecularWeight: 805.657411

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CC(N1S(=O)(=O)C3=CC=C(C=C3)C)COC(=O)C4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C(=C(C=C2OC)OC)I

Isomeric SMILES

C[C@@H]1C2=C(C[C@H](N1S(=O)(=O)C3=CC=C(C=C3)C)COC(=O)C4=CC=CC=C4P(C5=CC=CC=C5)C6=CC=CC=C6)C(=C(C=C2OC)OC)I

InChI

InChI=1S/C39H37INO6PS/c1-26-19-21-31(22-20-26)49(43,44)41-27(2)37-33(38(40)35(46-4)24-34(37)45-3)23-28(41)25-47-39(42)32-17-11-12-18-36(32)48(29-13-7-5-8-14-29)30-15-9-6-10-16-30/h5-22,24,27-28H,23,25H2,1-4H3/t27-,28+/m1/s1