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

Systemtic Name: N-[5-(3-ethynyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoranyl-benzenesulfonamide Openeye Name: N-[5-(3-ethynyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoro-benzenesulfonamide CAS Name: N-[5-(3-ethynyl-4-methoxyphenyl)-3-(trifluoromethyl)-1-pyrazolyl]-2-fluorobenzenesulfonamide IUPAC Name: N-[5-(3-ethynyl-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide Traditional Name: N-[5-(3-ethynyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-fluoro-benzenesulfonamide Formula: C19H13F4N3O3S MolecularWeight: 439.383433

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NN2NS(=O)(=O)C3=CC=CC=C3F)C(F)(F)F)C#C

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NN2NS(=O)(=O)C3=CC=CC=C3F)C(F)(F)F)C#C

InChI

InChI=1S/C19H13F4N3O3S/c1-3-12-10-13(8-9-16(12)29-2)15-11-18(19(21,22)23)24-26(15)25-30(27,28)17-7-5-4-6-14(17)20/h1,4-11,25H,2H3