N-[2-(1-azanylisoquinolin-7-yl)oxy-5-fluoranyl-phenyl]-4-(2-sulfamoylphenyl)benzamide

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)oxy-5-fluoranyl-phenyl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-[(1-amino-7-isoquinolyl)oxy]-5-fluoro-phenyl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-[(1-amino-7-isoquinolinyl)oxy]-5-fluorophenyl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)oxy-5-fluorophenyl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-[(1-amino-7-isoquinolyl)oxy]-5-fluoro-phenyl]-4-(2-sulfamoylphenyl)benzamide Formula: C28H21FN4O4S MolecularWeight: 528.554143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)OC4=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=C(C=CC(=C3)F)OC4=CC5=C(C=C4)C=CN=C5N)S(=O)(=O)N

InChI

InChI=1S/C28H21FN4O4S/c29-20-10-12-25(37-21-11-9-18-13-14-32-27(30)23(18)16-21)24(15-20)33-28(34)19-7-5-17(6-8-19)22-3-1-2-4-26(22)38(31,35)36/h1-16H,(H2,30,32)(H,33,34)(H2,31,35,36)