4-[2-butoxy-3-(hydroxymethyl)-6-(3-methylsulfanylphenyl)pyridin-4-yl]benzenesulfonamide

Systemtic Name: 4-[2-butoxy-3-(hydroxymethyl)-6-(3-methylsulfanylphenyl)pyridin-4-yl]benzenesulfonamide Openeye Name: 4-[2-butoxy-3-(hydroxymethyl)-6-(3-methylsulfanylphenyl)-4-pyridyl]benzenesulfonamide CAS Name: 4-[2-butoxy-3-(hydroxymethyl)-6-[3-(methylthio)phenyl]-4-pyridinyl]benzenesulfonamide IUPAC Name: 4-[2-butoxy-3-(hydroxymethyl)-6-(3-methylsulfanylphenyl)pyridin-4-yl]benzenesulfonamide Traditional Name: 4-[2-butoxy-3-methylol-6-[3-(methylthio)phenyl]-4-pyridyl]benzenesulfonamide Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=CC(=N1)C2=CC(=CC=C2)SC)C3=CC=C(C=C3)S(=O)(=O)N)CO

Isomeric SMILES

CCCCOC1=C(C(=CC(=N1)C2=CC(=CC=C2)SC)C3=CC=C(C=C3)S(=O)(=O)N)CO

InChI

InChI=1S/C23H26N2O4S2/c1-3-4-12-29-23-21(15-26)20(16-8-10-19(11-9-16)31(24,27)28)14-22(25-23)17-6-5-7-18(13-17)30-2/h5-11,13-14,26H,3-4,12,15H2,1-2H3,(H2,24,27,28)