4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenesulfonamide CAS Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenesulfonamide Formula: C17H19N3O6S MolecularWeight: 393.41426

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-25-16-7-11-5-6-19(10-12(11)8-17(16)26-2)14-4-3-13(27(18,23)24)9-15(14)20(21)22/h3-4,7-9H,5-6,10H2,1-2H3,(H2,18,23,24)