N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[2-[(2-methylolphenyl)thio]benzyl]benzenesulfonamide Formula: C22H23NO5S2 MolecularWeight: 445.55172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2SC3=CC=CC=C3CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2SC3=CC=CC=C3CO)OC

InChI

InChI=1S/C22H23NO5S2/c1-27-19-12-11-18(13-20(19)28-2)30(25,26)23-14-16-7-3-5-9-21(16)29-22-10-6-4-8-17(22)15-24/h3-13,23-24H,14-15H2,1-2H3