4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]sulfonylmorpholine Formula: C21H25N3O7S MolecularWeight: 463.5041

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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)N4CCOCC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O7S/c1-29-20-11-15-5-6-22(14-16(15)12-21(20)30-2)18-4-3-17(13-19(18)24(25)26)32(27,28)23-7-9-31-10-8-23/h3-4,11-13H,5-10,14H2,1-2H3