N-(4-ethynylphenyl)-4-[[2-oxidanylidene-4-(trifluoromethyl)quinolin-1-yl]methyl]benzenesulfonamide

Systemtic Name: N-(4-ethynylphenyl)-4-[[2-oxidanylidene-4-(trifluoromethyl)quinolin-1-yl]methyl]benzenesulfonamide Openeye Name: N-(4-ethynylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1-quinolyl]methyl]benzenesulfonamide CAS Name: N-(4-ethynylphenyl)-4-[[2-oxo-4-(trifluoromethyl)-1-quinolinyl]methyl]benzenesulfonamide IUPAC Name: N-(4-ethynylphenyl)-4-[[2-oxo-4-(trifluoromethyl)quinolin-1-yl]methyl]benzenesulfonamide Traditional Name: N-(4-ethynylphenyl)-4-[[2-keto-4-(trifluoromethyl)-1-quinolyl]methyl]benzenesulfonamide Formula: C25H17F3N2O3S MolecularWeight: 482.47429

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=CC3=O)C(F)(F)F

Isomeric SMILES

C#CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=CC3=O)C(F)(F)F

InChI

InChI=1S/C25H17F3N2O3S/c1-2-17-7-11-19(12-8-17)29-34(32,33)20-13-9-18(10-14-20)16-30-23-6-4-3-5-21(23)22(15-24(30)31)25(26,27)28/h1,3-15,29H,16H2