(4S)-5,8-dimethoxy-2-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol

Systemtic Name: (4S)-5,8-dimethoxy-2-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol Openeye Name: (4S)-5,8-dimethoxy-2-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinolin-4-ol CAS Name: (4S)-5,8-dimethoxy-2-(4-methylsulfonyl-2-nitrophenyl)-3,4-dihydro-1H-isoquinolin-4-ol IUPAC Name: (4S)-5,8-dimethoxy-2-(4-methylsulfonyl-2-nitrophenyl)-3,4-dihydro-1H-isoquinolin-4-ol Traditional Name: (4S)-2-(4-mesyl-2-nitro-phenyl)-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol Formula: C18H20N2O7S MolecularWeight: 408.4256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=C2CN(C[C@H](C2=C(C=C1)OC)O)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O7S/c1-26-16-6-7-17(27-2)18-12(16)9-19(10-15(18)21)13-5-4-11(28(3,24)25)8-14(13)20(22)23/h4-8,15,21H,9-10H2,1-3H3/t15-/m1/s1