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

Systemtic Name: N-[2-[(1-azanylisoquinolin-7-yl)amino]phenyl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-[(1-amino-7-isoquinolyl)amino]phenyl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-[(1-amino-7-isoquinolinyl)amino]phenyl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-[(1-aminoisoquinolin-7-yl)amino]phenyl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-[(1-amino-7-isoquinolyl)amino]phenyl]-4-(2-sulfamoylphenyl)benzamide Formula: C28H23N5O3S MolecularWeight: 509.57892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3NC4=CC5=C(C=C4)C=CN=C5N)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3NC4=CC5=C(C=C4)C=CN=C5N)S(=O)(=O)N

InChI

InChI=1S/C28H23N5O3S/c29-27-23-17-21(14-13-19(23)15-16-31-27)32-24-6-2-3-7-25(24)33-28(34)20-11-9-18(10-12-20)22-5-1-4-8-26(22)37(30,35)36/h1-17,32H,(H2,29,31)(H,33,34)(H2,30,35,36)