N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]-3-nitro-benzenesulfonamide Formula: C26H25N3O8S MolecularWeight: 539.557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C26H25N3O8S/c1-34-23-11-16-8-9-27-22(20(16)14-25(23)36-3)10-17-12-24(35-2)26(37-4)15-21(17)28-38(32,33)19-7-5-6-18(13-19)29(30)31/h5-9,11-15,28H,10H2,1-4H3