N-[5-tert-butyl-4-[[2-cyclopropyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl]benzenesulfonamide

Systemtic Name: N-[5-tert-butyl-4-[[2-cyclopropyl-2-[2-(4-hydroxyphenyl)ethyl]-6-oxidanyl-4-oxidanylidene-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl]benzenesulfonamide Openeye Name: N-[5-tert-butyl-4-[[2-cyclopropyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methyl-phenyl]benzenesulfonamide CAS Name: N-[5-tert-butyl-4-[[2-cyclopropyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-5-yl]thio]-2-methylphenyl]benzenesulfonamide IUPAC Name: N-[5-tert-butyl-4-[[2-cyclopropyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-oxo-3H-pyran-5-yl]sulfanyl]-2-methylphenyl]benzenesulfonamide Traditional Name: N-[5-tert-butyl-4-[[2-cyclopropyl-6-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-4-keto-3H-pyran-5-yl]thio]-2-methyl-phenyl]benzenesulfonamide Formula: C33H37NO6S2 MolecularWeight: 607.77998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CC4)O)C(C)(C)C)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C(=C1)SC2=C(OC(CC2=O)(CCC3=CC=C(C=C3)O)C4CC4)O)C(C)(C)C)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H37NO6S2/c1-21-18-29(26(32(2,3)4)19-27(21)34-42(38,39)25-8-6-5-7-9-25)41-30-28(36)20-33(23-12-13-23,40-31(30)37)17-16-22-10-14-24(35)15-11-22/h5-11,14-15,18-19,23,34-35,37H,12-13,16-17,20H2,1-4H3