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

Systemtic Name: N-[2-(1-azanylisoquinolin-7-yl)oxy-5-methylsulfonyl-phenyl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-[(1-amino-7-isoquinolyl)oxy]-5-methylsulfonyl-phenyl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-[(1-amino-7-isoquinolinyl)oxy]-5-methylsulfonylphenyl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-(1-aminoisoquinolin-7-yl)oxy-5-methylsulfonylphenyl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-[(1-amino-7-isoquinolyl)oxy]-5-mesyl-phenyl]-4-(2-sulfamoylphenyl)benzamide Formula: C29H24N4O6S2 MolecularWeight: 588.65406

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)C=CN=C3N)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)C=CN=C3N)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C29H24N4O6S2/c1-40(35,36)22-12-13-26(39-21-11-10-19-14-15-32-28(30)24(19)16-21)25(17-22)33-29(34)20-8-6-18(7-9-20)23-4-2-3-5-27(23)41(31,37)38/h2-17H,1H3,(H2,30,32)(H,33,34)(H2,31,37,38)