N-[[1-(2-fluoranyl-5-methoxy-phenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]methyl]methanesulfonamide

Systemtic Name: N-[[1-(2-fluoranyl-5-methoxy-phenyl)carbonyl-6,7-dimethoxy-isoquinolin-4-yl]methyl]methanesulfonamide Openeye Name: N-[[1-(2-fluoro-5-methoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]methanesulfonamide CAS Name: N-[[1-[(2-fluoro-5-methoxyphenyl)-oxomethyl]-6,7-dimethoxy-4-isoquinolinyl]methyl]methanesulfonamide IUPAC Name: N-[[1-(2-fluoro-5-methoxybenzoyl)-6,7-dimethoxyisoquinolin-4-yl]methyl]methanesulfonamide Traditional Name: N-[[1-(2-fluoro-5-methoxy-benzoyl)-6,7-dimethoxy-4-isoquinolyl]methyl]methanesulfonamide Formula: C21H21FN2O6S MolecularWeight: 448.464643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CNS(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)F)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CNS(=O)(=O)C

InChI

InChI=1S/C21H21FN2O6S/c1-28-13-5-6-17(22)16(7-13)21(25)20-15-9-19(30-3)18(29-2)8-14(15)12(10-23-20)11-24-31(4,26)27/h5-10,24H,11H2,1-4H3