N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide

Systemtic Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide Openeye Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-methoxy-2,3,6-trimethyl-benzenesulfonamide CAS Name: N-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide IUPAC Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide Traditional Name: 4-methoxy-2,3,6-trimethyl-N-[2-[(2-methylolphenyl)thio]benzyl]benzenesulfonamide Formula: C24H27NO4S2 MolecularWeight: 457.60548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NCC2=CC=CC=C2SC3=CC=CC=C3CO)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NCC2=CC=CC=C2SC3=CC=CC=C3CO)C)C)OC

InChI

InChI=1S/C24H27NO4S2/c1-16-13-21(29-4)17(2)18(3)24(16)31(27,28)25-14-19-9-5-7-11-22(19)30-23-12-8-6-10-20(23)15-26/h5-13,25-26H,14-15H2,1-4H3