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

Systemtic Name: 2-[(1-azanylisoquinolin-7-yl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]ethanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]acetamide CAS Name: 2-[(1-amino-7-isoquinolinyl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]acetamide IUPAC Name: 2-[(1-aminoisoquinolin-7-yl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]acetamide Traditional Name: 2-[(1-amino-7-isoquinolyl)amino]-N-[4-(2-sulfamoylphenyl)phenyl]acetamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)CNC3=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)CNC3=CC4=C(C=C3)C=CN=C4N)S(=O)(=O)N

InChI

InChI=1S/C23H21N5O3S/c24-23-20-13-18(10-7-16(20)11-12-26-23)27-14-22(29)28-17-8-5-15(6-9-17)19-3-1-2-4-21(19)32(25,30)31/h1-13,27H,14H2,(H2,24,26)(H,28,29)(H2,25,30,31)