1-chloranyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]methanesulfonamide

Systemtic Name: 1-chloranyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]methanesulfonamide Openeye Name: 1-chloro-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]methanesulfonamide CAS Name: 1-chloro-N-[2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]methanesulfonamide IUPAC Name: 1-chloro-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]methanesulfonamide Traditional Name: 1-chloro-N-[2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]methanesulfonamide Formula: C21H23ClN2O6S MolecularWeight: 466.93512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NS(=O)(=O)CCl)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NS(=O)(=O)CCl)OC)OC)OC

InChI

InChI=1S/C21H23ClN2O6S/c1-27-18-8-13-5-6-23-17(15(13)10-20(18)29-3)7-14-9-19(28-2)21(30-4)11-16(14)24-31(25,26)12-22/h5-6,8-11,24H,7,12H2,1-4H3