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

Systemtic Name: 2-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 2-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 2-[5-(4-ethynylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 2-[5-(4-ethynylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 2-[5-(4-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=C(C=C1)C2=CC(=NN2C3=CC=CC=C3S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

C#CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3S(=O)(=O)N)C(F)(F)F

InChI

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