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

Systemtic Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCC3=CC(=C(C=C3C2)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6S/c1-5-23(6-2)31(27,28)17-7-8-18(19(13-17)24(25)26)22-10-9-15-11-20(29-3)21(30-4)12-16(15)14-22/h7-8,11-13H,5-6,9-10,14H2,1-4H3