N-[2-(isoquinolin-1-ylamino)oxy-5-methylsulfonyl-phenyl]-4-(2-sulfamoylphenyl)benzamide

Systemtic Name: N-[2-(isoquinolin-1-ylamino)oxy-5-methylsulfonyl-phenyl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-(1-isoquinolylamino)oxy-5-methylsulfonyl-phenyl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-(1-isoquinolinylamino)oxy-5-methylsulfonylphenyl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-(isoquinolin-1-ylamino)oxy-5-methylsulfonylphenyl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-(1-isoquinolylamino)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)ONC2=NC=CC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)ONC2=NC=CC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

InChI

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