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

Systemtic Name: (E)-3-(1-azanylisoquinolin-7-yl)-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide Openeye Name: (E)-3-(1-amino-7-isoquinolyl)-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide CAS Name: (E)-3-(1-amino-7-isoquinolinyl)-N-[4-(2-sulfamoylphenyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1-aminoisoquinolin-7-yl)-N-[4-(2-sulfamoylphenyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(1-amino-7-isoquinolyl)-N-[4-(2-sulfamoylphenyl)phenyl]acrylamide Formula: C24H20N4O3S MolecularWeight: 444.5056

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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)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)S(=O)(=O)N

InChI

InChI=1S/C24H20N4O3S/c25-24-21-15-16(5-7-18(21)13-14-27-24)6-12-23(29)28-19-10-8-17(9-11-19)20-3-1-2-4-22(20)32(26,30)31/h1-15H,(H2,25,27)(H,28,29)(H2,26,30,31)/b12-6+