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

Systemtic Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-iodanyl-benzenesulfonamide Openeye Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-iodo-benzenesulfonamide CAS Name: N-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methyl]-4-iodobenzenesulfonamide IUPAC Name: N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-4-iodobenzenesulfonamide Traditional Name: 4-iodo-N-[2-[(2-methylolphenyl)thio]benzyl]benzenesulfonamide Formula: C20H18INO3S2 MolecularWeight: 511.39629

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNS(=O)(=O)C2=CC=C(C=C2)I)SC3=CC=CC=C3CO

Isomeric SMILES

C1=CC=C(C(=C1)CNS(=O)(=O)C2=CC=C(C=C2)I)SC3=CC=CC=C3CO

InChI

InChI=1S/C20H18INO3S2/c21-17-9-11-18(12-10-17)27(24,25)22-13-15-5-1-3-7-19(15)26-20-8-4-2-6-16(20)14-23/h1-12,22-23H,13-14H2