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

Systemtic Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-N-[2-[(2-methylolphenyl)thio]benzyl]benzenesulfonamide Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2SC3=CC=CC=C3CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2SC3=CC=CC=C3CO

InChI

InChI=1S/C21H21NO3S2/c1-16-10-12-19(13-11-16)27(24,25)22-14-17-6-2-4-8-20(17)26-21-9-5-3-7-18(21)15-23/h2-13,22-23H,14-15H2,1H3