N-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-3-fluoranyl-4-methoxy-benzenesulfonamide

Systemtic Name: N-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-3-fluoranyl-4-methoxy-benzenesulfonamide Openeye Name: N-[(6,7-dimethoxy-1-isoquinolyl)-(3,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxy-benzenesulfonamide CAS Name: N-[(6,7-dimethoxy-1-isoquinolinyl)-(3,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide IUPAC Name: N-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzenesulfonamide Traditional Name: N-[(6,7-dimethoxy-1-isoquinolyl)-(3,4-dimethoxyphenyl)methyl]-3-fluoro-4-methoxy-benzenesulfonamide Formula: C27H27FN2O7S MolecularWeight: 542.575883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)NS(=O)(=O)C4=CC(=C(C=C4)OC)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)NS(=O)(=O)C4=CC(=C(C=C4)OC)F)OC

InChI

InChI=1S/C27H27FN2O7S/c1-33-21-9-7-18(14-20(21)28)38(31,32)30-26(17-6-8-22(34-2)23(13-17)35-3)27-19-15-25(37-5)24(36-4)12-16(19)10-11-29-27/h6-15,26,30H,1-5H3