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

Systemtic Name: (Z)-3-(1-azanylisoquinolin-7-yl)-N-[2-bromanyl-4-(3-sulfamoylpyridin-4-yl)phenyl]-2-fluoranyl-but-2-enamide Openeye Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(3-sulfamoyl-4-pyridyl)phenyl]-2-fluoro-but-2-enamide CAS Name: (Z)-3-(1-amino-7-isoquinolinyl)-N-[2-bromo-4-(3-sulfamoyl-4-pyridinyl)phenyl]-2-fluoro-2-butenamide IUPAC Name: (Z)-3-(1-aminoisoquinolin-7-yl)-N-[2-bromo-4-(3-sulfamoylpyridin-4-yl)phenyl]-2-fluorobut-2-enamide Traditional Name: (Z)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(3-sulfamoyl-4-pyridyl)phenyl]-2-fluoro-but-2-enamide Formula: C24H19BrFN5O3S MolecularWeight: 556.406763

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H19BrFN5O3S/c1-13(15-3-2-14-6-9-30-23(27)18(14)10-15)22(26)24(32)31-20-5-4-16(11-19(20)25)17-7-8-29-12-21(17)35(28,33)34/h2-12H,1H3,(H2,27,30)(H,31,32)(H2,28,33,34)/b22-13-