3,4-dimethoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)OC

InChI

InChI=1S/C20H20N2O4S2/c1-25-19-10-9-18(12-20(19)26-2)28(23,24)22-16-5-7-17(8-6-16)27-14-15-4-3-11-21-13-15/h3-13,22H,14H2,1-2H3