N-[4-(7-chloranylisoquinolin-1-yl)-2-oxidanyl-phenyl]-4-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[4-(7-chloranylisoquinolin-1-yl)-2-oxidanyl-phenyl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[4-(7-chloro-1-isoquinolyl)-2-hydroxy-phenyl]-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[4-(7-chloro-1-isoquinolinyl)-2-hydroxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[4-(7-chloroisoquinolin-1-yl)-2-hydroxyphenyl]-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[4-(7-chloro-1-isoquinolyl)-2-hydroxy-phenyl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C22H14ClF3N2O4S MolecularWeight: 494.87077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CN=C2C3=CC(=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F)O)Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CN=C2C3=CC(=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F)O)Cl

InChI

InChI=1S/C22H14ClF3N2O4S/c23-15-3-1-13-9-10-27-21(18(13)12-15)14-2-8-19(20(29)11-14)28-33(30,31)17-6-4-16(5-7-17)32-22(24,25)26/h1-12,28-29H