N-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[[2-fluoranyl-5-(trifluoromethyl)phenyl]methyl]isoquinoline-5-sulfonamide Openeye Name: N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]isoquinoline-5-sulfonamide CAS Name: N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-isoquinolinesulfonamide IUPAC Name: N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-fluoro-5-(trifluoromethyl)benzyl]isoquinoline-5-sulfonamide Formula: C17H12F4N2O2S MolecularWeight: 384.347993

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCC3=C(C=CC(=C3)C(F)(F)F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCC3=C(C=CC(=C3)C(F)(F)F)F

InChI

InChI=1S/C17H12F4N2O2S/c18-15-5-4-13(17(19,20)21)8-12(15)10-23-26(24,25)16-3-1-2-11-9-22-7-6-14(11)16/h1-9,23H,10H2