N-(4-fluoranyl-2-nitro-phenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-(4-fluoranyl-2-nitro-phenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(4-fluoro-2-nitro-phenyl)-N-(3-pyridylmethyl)-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-(4-fluoro-2-nitrophenyl)-N-(3-pyridinylmethyl)-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(4-fluoro-2-nitrophenyl)-N-(pyridin-3-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(4-fluoro-2-nitro-phenyl)-N-(3-pyridylmethyl)-4-(trifluoromethyl)benzenesulfonamide Formula: C19H13F4N3O4S MolecularWeight: 455.382833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(C2=C(C=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CN=C1)CN(C2=C(C=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C19H13F4N3O4S/c20-15-5-8-17(18(10-15)26(27)28)25(12-13-2-1-9-24-11-13)31(29,30)16-6-3-14(4-7-16)19(21,22)23/h1-11H,12H2