N-isoquinolin-5-yl-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-isoquinolin-5-yl-1-[3-(trifluoromethyloxy)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-isoquinolyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-isoquinolinyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-isoquinolin-5-yl-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-isoquinolyl)-1-[3-(trifluoromethoxy)phenyl]sulfonyl-isonipecotamide Formula: C22H20F3N3O4S MolecularWeight: 479.47211

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)C4=CC=CC(=C4)OC(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC3=C2C=CN=C3)S(=O)(=O)C4=CC=CC(=C4)OC(F)(F)F

InChI

InChI=1S/C22H20F3N3O4S/c23-22(24,25)32-17-4-2-5-18(13-17)33(30,31)28-11-8-15(9-12-28)21(29)27-20-6-1-3-16-14-26-10-7-19(16)20/h1-7,10,13-15H,8-9,11-12H2,(H,27,29)