4-[3-(2,5-dimethylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide

Systemtic Name: 4-[3-(2,5-dimethylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide Openeye Name: 4-[3-(2,5-dimethylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide CAS Name: 4-[3-(2,5-dimethylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide IUPAC Name: 4-[3-(2,5-dimethylphenyl)-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide Traditional Name: 4-[5-(2,5-dimethylphenyl)-3-(trifluoromethyl)-2-pyrazolin-1-yl]benzenesulfonamide Formula: C18H18F3N3O2S MolecularWeight: 397.41463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O2S/c1-11-3-4-12(2)15(9-11)16-10-17(18(19,20)21)23-24(16)13-5-7-14(8-6-13)27(22,25)26/h3-9,16H,10H2,1-2H3,(H2,22,25,26)