5-[4-(diethylamino)-3-fluoranyl-phenyl]-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 5-[4-(diethylamino)-3-fluoranyl-phenyl]-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 5-[4-(diethylamino)-3-fluoro-phenyl]-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 5-[4-(diethylamino)-3-fluorophenyl]-2-(1-pyrazolyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 5-[4-(diethylamino)-3-fluorophenyl]-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 5-[4-(diethylamino)-3-fluoro-phenyl]-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Formula: C20H20F4N4O2S MolecularWeight: 456.457013

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F)F

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F)F

InChI

InChI=1S/C20H20F4N4O2S/c1-3-27(4-2)17-7-6-13(11-16(17)21)14-10-15(20(22,23)24)19(28-9-5-8-26-28)18(12-14)31(25,29)30/h5-12H,3-4H2,1-2H3,(H2,25,29,30)