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

Systemtic Name: 6,7-diethoxy-2-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-diethoxy-2-(4-methylsulfonyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-diethoxy-2-(4-methylsulfonyl-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-diethoxy-2-(4-methylsulfonyl-2-nitrophenyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-diethoxy-2-(4-mesyl-2-nitro-phenyl)-3,4-dihydro-1H-isoquinoline Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H24N2O6S/c1-4-27-19-10-14-8-9-21(13-15(14)11-20(19)28-5-2)17-7-6-16(29(3,25)26)12-18(17)22(23)24/h6-7,10-12H,4-5,8-9,13H2,1-3H3