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

Systemtic Name: 4-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoranyl-benzenesulfonamide Openeye Name: 4-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoro-benzenesulfonamide CAS Name: 4-[5-(4-ethynylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]-2-fluorobenzenesulfonamide IUPAC Name: 4-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide Traditional Name: 4-[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(=NN2C3=CC(=C(C=C3)S(=O)(=O)N)F)C(F)(F)F

Isomeric SMILES

C#CC1=CC=C(C=C1)C2=CC(=NN2C3=CC(=C(C=C3)S(=O)(=O)N)F)C(F)(F)F

InChI

InChI=1S/C18H11F4N3O2S/c1-2-11-3-5-12(6-4-11)15-10-17(18(20,21)22)24-25(15)13-7-8-16(14(19)9-13)28(23,26)27/h1,3-10H,(H2,23,26,27)