5-bromanyl-N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2-methoxy-benzenesulfonamide

Systemtic Name: 5-bromanyl-N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2-methoxy-benzenesulfonamide Openeye Name: 5-bromo-N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2-methoxy-benzenesulfonamide CAS Name: 5-bromo-N-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-bromo-N-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methyl]-2-methoxybenzenesulfonamide Traditional Name: 5-bromo-2-methoxy-N-[2-[(2-methylolphenyl)thio]benzyl]benzenesulfonamide Formula: C21H20BrNO4S2 MolecularWeight: 494.4218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO4S2/c1-27-18-11-10-17(22)12-21(18)29(25,26)23-13-15-6-2-4-8-19(15)28-20-9-5-3-7-16(20)14-24/h2-12,23-24H,13-14H2,1H3