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

Systemtic Name: (E)-3-(1-azanylisoquinolin-7-yl)-N-[2-bromanyl-4-(2-sulfamoylphenyl)phenyl]prop-2-enamide Openeye Name: (E)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]prop-2-enamide CAS Name: (E)-3-(1-amino-7-isoquinolinyl)-N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1-aminoisoquinolin-7-yl)-N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(1-amino-7-isoquinolyl)-N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]acrylamide Formula: C24H19BrN4O3S MolecularWeight: 523.40166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3)C=CN=C4N)Br)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C24H19BrN4O3S/c25-20-14-17(18-3-1-2-4-22(18)33(27,31)32)8-9-21(20)29-23(30)10-6-15-5-7-16-11-12-28-24(26)19(16)13-15/h1-14H,(H2,26,28)(H,29,30)(H2,27,31,32)/b10-6+