4-[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4R)-5,8-dimethoxy-4-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(4R)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-nitro-benzenesulfonamide Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CC(C3=C(C=CC(=C3C2)OC)OC)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2C[C@@H](C3=C(C=CC(=C3C2)OC)OC)O)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O7S/c1-5-23(6-2)32(28,29)14-7-8-16(17(11-14)24(26)27)22-12-15-19(30-3)9-10-20(31-4)21(15)18(25)13-22/h7-11,18,25H,5-6,12-13H2,1-4H3/t18-/m0/s1