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

Systemtic Name: 4-[5-(3-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-(3-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(3-ethynylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(3-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-(3-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C18H12F3N3O2S MolecularWeight: 391.36699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F3N3O2S/c1-2-12-4-3-5-13(10-12)16-11-17(18(19,20)21)23-24(16)14-6-8-15(9-7-14)27(22,25)26/h1,3-11H,(H2,22,25,26)