N-[4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenyl]benzenesulfonamide

Systemtic Name: N-[4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenyl]benzenesulfonamide Openeye Name: N-[4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-pyran-2-yl)phenyl]benzenesulfonamide CAS Name: N-[4-[6-hydroxy-4-oxo-5-(phenethylthio)-2-pyranyl]phenyl]benzenesulfonamide IUPAC Name: N-[4-(6-hydroxy-4-oxo-5-phenethylsulfanylpyran-2-yl)phenyl]benzenesulfonamide Traditional Name: N-[4-[6-hydroxy-4-keto-5-(phenethylthio)pyran-2-yl]phenyl]benzenesulfonamide Formula: C25H21NO5S2 MolecularWeight: 479.56794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C25H21NO5S2/c27-22-17-23(31-25(28)24(22)32-16-15-18-7-3-1-4-8-18)19-11-13-20(14-12-19)26-33(29,30)21-9-5-2-6-10-21/h1-14,17,26,28H,15-16H2