6,7-dimethoxy-2-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-(4-methylsulfonyl-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-(4-methylsulfonyl-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-mesyl-2-nitro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C18H20N2O6S/c1-25-17-8-12-6-7-19(11-13(12)9-18(17)26-2)15-5-4-14(27(3,23)24)10-16(15)20(21)22/h4-5,8-10H,6-7,11H2,1-3H3