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

Systemtic Name: 5-[4-(diethylamino)-3-methyl-phenyl]-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 5-[4-(diethylamino)-3-methyl-phenyl]-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 5-[4-(diethylamino)-3-methylphenyl]-2-(1-pyrazolyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 5-[4-(diethylamino)-3-methylphenyl]-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 5-[4-(diethylamino)-3-methyl-phenyl]-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Formula: C21H23F3N4O2S MolecularWeight: 452.49313

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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)C

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)C

InChI

InChI=1S/C21H23F3N4O2S/c1-4-27(5-2)18-8-7-15(11-14(18)3)16-12-17(21(22,23)24)20(28-10-6-9-26-28)19(13-16)31(25,29)30/h6-13H,4-5H2,1-3H3,(H2,25,29,30)