2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[isoquinolin-5-ylsulfonyl-(4-methoxyphenyl)amino]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[N-(5-isoquinolinylsulfonyl)-4-methoxyanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-(N-isoquinolin-5-ylsulfonyl-4-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[N-(5-isoquinolylsulfonyl)-4-methoxy-anilino]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C25H20F3N3O5S MolecularWeight: 531.50361

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C25H20F3N3O5S/c1-35-20-11-7-19(8-12-20)31(37(33,34)23-4-2-3-17-15-29-14-13-22(17)23)16-24(32)30-18-5-9-21(10-6-18)36-25(26,27)28/h2-15H,16H2,1H3,(H,30,32)