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

Systemtic Name: N-[2-(isoquinolin-1-ylamino)oxy-5-(trifluoromethyl)phenyl]-4-(2-sulfamoylphenyl)benzamide Openeye Name: N-[2-(1-isoquinolylamino)oxy-5-(trifluoromethyl)phenyl]-4-(2-sulfamoylphenyl)benzamide CAS Name: N-[2-(1-isoquinolinylamino)oxy-5-(trifluoromethyl)phenyl]-4-(2-sulfamoylphenyl)benzamide IUPAC Name: N-[2-(isoquinolin-1-ylamino)oxy-5-(trifluoromethyl)phenyl]-4-(2-sulfamoylphenyl)benzamide Traditional Name: N-[2-(1-isoquinolylamino)oxy-5-(trifluoromethyl)phenyl]-4-(2-sulfamoylphenyl)benzamide Formula: C29H21F3N4O4S MolecularWeight: 578.56165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2NOC3=C(C=C(C=C3)C(F)(F)F)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2NOC3=C(C=C(C=C3)C(F)(F)F)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C29H21F3N4O4S/c30-29(31,32)21-13-14-25(40-36-27-23-7-2-1-5-18(23)15-16-34-27)24(17-21)35-28(37)20-11-9-19(10-12-20)22-6-3-4-8-26(22)41(33,38)39/h1-17H,(H,34,36)(H,35,37)(H2,33,38,39)