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

Systemtic Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenesulfonamide CAS Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-benzenesulfonamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-3-27-18-9-13-7-8-21(12-14(13)10-19(18)28-4-2)16-6-5-15(29(20,25)26)11-17(16)22(23)24/h5-6,9-11H,3-4,7-8,12H2,1-2H3,(H2,20,25,26)