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

Systemtic Name: 4-[5-(3-ethynyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-(3-ethynyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(3-ethynyl-4-methoxyphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(3-ethynyl-4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-(3-ethynyl-4-methoxy-phenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C19H14F3N3O3S MolecularWeight: 421.39297

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C#C

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C#C

InChI

InChI=1S/C19H14F3N3O3S/c1-3-12-10-13(4-9-17(12)28-2)16-11-18(19(20,21)22)24-25(16)14-5-7-15(8-6-14)29(23,26)27/h1,4-11H,2H3,(H2,23,26,27)