5-(4-ethynyl-3-methyl-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 5-(4-ethynyl-3-methyl-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 5-(4-ethynyl-3-methyl-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 5-(4-ethynyl-3-methylphenyl)-2-(1-pyrazolyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 5-(4-ethynyl-3-methylphenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 5-(4-ethynyl-3-methyl-phenyl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Formula: C19H14F3N3O2S MolecularWeight: 405.39357

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F)C#C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C(=C2)S(=O)(=O)N)N3C=CC=N3)C(F)(F)F)C#C

InChI

InChI=1S/C19H14F3N3O2S/c1-3-13-5-6-14(9-12(13)2)15-10-16(19(20,21)22)18(25-8-4-7-24-25)17(11-15)28(23,26)27/h1,4-11H,2H3,(H2,23,26,27)