(E)-3-(1-azanylisoquinolin-7-yl)-2-fluoranyl-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]but-2-enamide

Systemtic Name: (E)-3-(1-azanylisoquinolin-7-yl)-2-fluoranyl-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]but-2-enamide Openeye Name: (E)-3-(1-amino-7-isoquinolyl)-2-fluoro-N-[5-(2-sulfamoylphenyl)-2-pyridyl]but-2-enamide CAS Name: (E)-3-(1-amino-7-isoquinolinyl)-2-fluoro-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-2-butenamide IUPAC Name: (E)-3-(1-aminoisoquinolin-7-yl)-2-fluoro-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]but-2-enamide Traditional Name: (E)-3-(1-amino-7-isoquinolyl)-2-fluoro-N-[5-(2-sulfamoylphenyl)-2-pyridyl]but-2-enamide Formula: C24H20FN5O3S MolecularWeight: 477.510703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=NC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)F)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C/C(=C(/C(=O)NC1=NC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)\F)/C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C24H20FN5O3S/c1-14(16-7-6-15-10-11-28-23(26)19(15)12-16)22(25)24(31)30-21-9-8-17(13-29-21)18-4-2-3-5-20(18)34(27,32)33/h2-13H,1H3,(H2,26,28)(H2,27,32,33)(H,29,30,31)/b22-14+