(E)-3-(1-azanylisoquinolin-7-yl)-2-fluoranyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide

Systemtic Name: (E)-3-(1-azanylisoquinolin-7-yl)-2-fluoranyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Openeye Name: (E)-3-(1-amino-7-isoquinolyl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide CAS Name: (E)-3-(1-amino-7-isoquinolinyl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]-2-butenamide IUPAC Name: (E)-3-(1-aminoisoquinolin-7-yl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Traditional Name: (E)-3-(1-amino-7-isoquinolyl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Formula: C25H21FN4O3S MolecularWeight: 476.522643

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H21FN4O3S/c1-15(18-7-6-17-12-13-29-24(27)21(17)14-18)23(26)25(31)30-19-10-8-16(9-11-19)20-4-2-3-5-22(20)34(28,32)33/h2-14H,1H3,(H2,27,29)(H,30,31)(H2,28,32,33)/b23-15+