N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide

Systemtic Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-[[2-oxidanylidene-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Openeye Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide CAS Name: N-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide IUPAC Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-[[2-oxo-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]benzenesulfonamide Traditional Name: 4-[[2-keto-4-(trifluoromethyl)-1H-quinolin-6-yl]methyl]-N-[2-[(2-methylolphenyl)thio]benzyl]benzenesulfonamide Formula: C31H25F3N2O4S2 MolecularWeight: 610.66641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNS(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)NC(=O)C=C4C(F)(F)F)SC5=CC=CC=C5CO

Isomeric SMILES

C1=CC=C(C(=C1)CNS(=O)(=O)C2=CC=C(C=C2)CC3=CC4=C(C=C3)NC(=O)C=C4C(F)(F)F)SC5=CC=CC=C5CO

InChI

InChI=1S/C31H25F3N2O4S2/c32-31(33,34)26-17-30(38)36-27-14-11-21(16-25(26)27)15-20-9-12-24(13-10-20)42(39,40)35-18-22-5-1-3-7-28(22)41-29-8-4-2-6-23(29)19-37/h1-14,16-17,35,37H,15,18-19H2,(H,36,38)