2-(1-azanylisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]ethanamide

Systemtic Name: 2-(1-azanylisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]ethanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-sulfamoylphenyl)phenyl]acetamide CAS Name: 2-[(1-amino-7-isoquinolinyl)oxy]-N-[4-(2-sulfamoylphenyl)phenyl]acetamide IUPAC Name: 2-(1-aminoisoquinolin-7-yl)oxy-N-[4-(2-sulfamoylphenyl)phenyl]acetamide Traditional Name: 2-[(1-amino-7-isoquinolyl)oxy]-N-[4-(2-sulfamoylphenyl)phenyl]acetamide Formula: C23H20N4O4S MolecularWeight: 448.4943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)COC3=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)COC3=CC4=C(C=C3)C=CN=C4N)S(=O)(=O)N

InChI

InChI=1S/C23H20N4O4S/c24-23-20-13-18(10-7-16(20)11-12-26-23)31-14-22(28)27-17-8-5-15(6-9-17)19-3-1-2-4-21(19)32(25,29)30/h1-13H,14H2,(H2,24,26)(H,27,28)(H2,25,29,30)