(Z)-3-(1-azanylisoquinolin-7-yl)-N-[2-bromanyl-4-(2-sulfamoylphenoxy)phenyl]-2-fluoranyl-but-2-enamide

Systemtic Name: (Z)-3-(1-azanylisoquinolin-7-yl)-N-[2-bromanyl-4-(2-sulfamoylphenoxy)phenyl]-2-fluoranyl-but-2-enamide Openeye Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(2-sulfamoylphenoxy)phenyl]-2-fluoro-but-2-enamide CAS Name: (Z)-3-(1-amino-7-isoquinolinyl)-N-[2-bromo-4-(2-sulfamoylphenoxy)phenyl]-2-fluoro-2-butenamide IUPAC Name: (Z)-3-(1-aminoisoquinolin-7-yl)-N-[2-bromo-4-(2-sulfamoylphenoxy)phenyl]-2-fluorobut-2-enamide Traditional Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(2-sulfamoylphenoxy)phenyl]-2-fluoro-but-2-enamide Formula: C25H20BrFN4O4S MolecularWeight: 571.418103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=C(C=C(C=C1)OC2=CC=CC=C2S(=O)(=O)N)Br)F)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C/C(=C(\C(=O)NC1=C(C=C(C=C1)OC2=CC=CC=C2S(=O)(=O)N)Br)/F)/C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C25H20BrFN4O4S/c1-14(16-7-6-15-10-11-30-24(28)18(15)12-16)23(27)25(32)31-20-9-8-17(13-19(20)26)35-21-4-2-3-5-22(21)36(29,33)34/h2-13H,1H3,(H2,28,30)(H,31,32)(H2,29,33,34)/b23-14-