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

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

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)C2=CC(=C(C(=C2N3C=CC=N3)C(F)(F)F)F)S(=O)(=O)N

Isomeric SMILES

C#CC1=CC=C(C=C1)C2=CC(=C(C(=C2N3C=CC=N3)C(F)(F)F)F)S(=O)(=O)N

InChI

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