N-[5-tert-butyl-4-[(2,2-dicyclopentyl-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl)sulfanyl]-2-methyl-phenyl]-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[5-tert-butyl-4-[(2,2-dicyclopentyl-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl)sulfanyl]-2-methyl-phenyl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[5-tert-butyl-4-[(2,2-dicyclopentyl-6-hydroxy-4-oxo-3H-pyran-5-yl)sulfanyl]-2-methyl-phenyl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[5-tert-butyl-4-[(2,2-dicyclopentyl-6-hydroxy-4-oxo-3H-pyran-5-yl)thio]-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[5-tert-butyl-4-[(2,2-dicyclopentyl-6-hydroxy-4-oxo-3H-pyran-5-yl)sulfanyl]-2-methylphenyl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[5-tert-butyl-4-[(2,2-dicyclopentyl-6-hydroxy-4-keto-3H-pyran-5-yl)thio]-2-methyl-phenyl]-4-(trifluoromethyl)benzenesulfonamide Formula: C33H40F3NO5S2 MolecularWeight: 651.79961

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C3CCCC3)C4CCCC4)O)C(C)(C)C)NS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(C3CCCC3)C4CCCC4)O)C(C)(C)C)NS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C33H40F3NO5S2/c1-20-17-28(43-29-27(38)19-32(42-30(29)39,21-9-5-6-10-21)22-11-7-8-12-22)25(31(2,3)4)18-26(20)37-44(40,41)24-15-13-23(14-16-24)33(34,35)36/h13-18,21-22,37,39H,5-12,19H2,1-4H3