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

Systemtic Name: 2-[(1-azanylisoquinolin-7-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]ethanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide CAS Name: 2-[(1-amino-7-isoquinolinyl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide IUPAC Name: 2-[(1-aminoisoquinolin-7-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide Traditional Name: 2-[(1-amino-7-isoquinolyl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide Formula: C29H25N5O3S MolecularWeight: 523.6055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC4=CC5=C(C=C4)C=CN=C5N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)NC4=CC5=C(C=C4)C=CN=C5N

InChI

InChI=1S/C29H25N5O3S/c30-28-25-18-23(15-12-20(25)16-17-32-28)33-27(21-6-2-1-3-7-21)29(35)34-22-13-10-19(11-14-22)24-8-4-5-9-26(24)38(31,36)37/h1-18,27,33H,(H2,30,32)(H,34,35)(H2,31,36,37)