N-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoro-benzenesulfonamide CAS Name: N-[5-(4-ethynylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]-2-fluorobenzenesulfonamide IUPAC Name: N-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide Traditional Name: N-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoro-benzenesulfonamide Formula: C18H11F4N3O2S MolecularWeight: 409.357453

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2=CC(=NN2NS(=O)(=O)C3=CC=CC=C3F)C(F)(F)F

Isomeric SMILES

C#CC1=CC=C(C=C1)C2=CC(=NN2NS(=O)(=O)C3=CC=CC=C3F)C(F)(F)F

InChI

InChI=1S/C18H11F4N3O2S/c1-2-12-7-9-13(10-8-12)15-11-17(18(20,21)22)23-25(15)24-28(26,27)16-6-4-3-5-14(16)19/h1,3-11,24H