4-butoxy-N-[1-(4-methylsulfanylphenyl)-1,3-bis(oxidanyl)propan-2-yl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[1-(4-methylsulfanylphenyl)-1,3-bis(oxidanyl)propan-2-yl]benzenesulfonamide Openeye Name: 4-butoxy-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide CAS Name: 4-butoxy-N-[1,3-dihydroxy-1-[4-(methylthio)phenyl]propan-2-yl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]benzenesulfonamide Traditional Name: 4-butoxy-N-[2-hydroxy-1-methylol-2-[4-(methylthio)phenyl]ethyl]benzenesulfonamide Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(CO)C(C2=CC=C(C=C2)SC)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(CO)C(C2=CC=C(C=C2)SC)O

InChI

InChI=1S/C20H27NO5S2/c1-3-4-13-26-16-7-11-18(12-8-16)28(24,25)21-19(14-22)20(23)15-5-9-17(27-2)10-6-15/h5-12,19-23H,3-4,13-14H2,1-2H3