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

Systemtic Name: 4-[5-[4-(diethylamino)-3-methyl-phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-[4-(diethylamino)-3-methyl-phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-[4-(diethylamino)-3-methylphenyl]-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-[4-(diethylamino)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-[4-(diethylamino)-3-methyl-phenyl]-3-(trifluoromethyl)pyrazol-1-yl]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(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C

InChI

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