3,4-dimethoxy-N-[2-(phenylmethylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[2-(phenylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: N-(2-benzylsulfanylphenyl)-3,4-dimethoxy-benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[2-(phenylmethylthio)phenyl]benzenesulfonamide IUPAC Name: N-(2-benzylsulfanylphenyl)-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[2-(benzylthio)phenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C21H21NO4S2 MolecularWeight: 415.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H21NO4S2/c1-25-19-13-12-17(14-20(19)26-2)28(23,24)22-18-10-6-7-11-21(18)27-15-16-8-4-3-5-9-16/h3-14,22H,15H2,1-2H3