N-[1-(6,7-dimethoxyisoquinolin-4-yl)-2-(2-fluoranyl-5-methoxy-phenyl)-2-oxidanylidene-ethyl]methanesulfonamide

Systemtic Name: N-[1-(6,7-dimethoxyisoquinolin-4-yl)-2-(2-fluoranyl-5-methoxy-phenyl)-2-oxidanylidene-ethyl]methanesulfonamide Openeye Name: N-[1-(6,7-dimethoxy-4-isoquinolyl)-2-(2-fluoro-5-methoxy-phenyl)-2-oxo-ethyl]methanesulfonamide CAS Name: N-[1-(6,7-dimethoxy-4-isoquinolinyl)-2-(2-fluoro-5-methoxyphenyl)-2-oxoethyl]methanesulfonamide IUPAC Name: N-[1-(6,7-dimethoxyisoquinolin-4-yl)-2-(2-fluoro-5-methoxyphenyl)-2-oxoethyl]methanesulfonamide Traditional Name: N-[1-(6,7-dimethoxy-4-isoquinolyl)-2-(2-fluoro-5-methoxy-phenyl)-2-keto-ethyl]methanesulfonamide Formula: C21H21FN2O6S MolecularWeight: 448.464643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C(=O)C(C2=CN=CC3=CC(=C(C=C32)OC)OC)NS(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)F)C(=O)C(C2=CN=CC3=CC(=C(C=C32)OC)OC)NS(=O)(=O)C

InChI

InChI=1S/C21H21FN2O6S/c1-28-13-5-6-17(22)15(8-13)21(25)20(24-31(4,26)27)16-11-23-10-12-7-18(29-2)19(30-3)9-14(12)16/h5-11,20,24H,1-4H3