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

Systemtic Name: 3,4-diethoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Openeye Name: 3,4-diethoxy-N-[4-(3-pyridylmethylsulfanyl)phenyl]benzenesulfonamide CAS Name: 3,4-diethoxy-N-[4-(3-pyridinylmethylthio)phenyl]benzenesulfonamide IUPAC Name: 3,4-diethoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide Traditional Name: 3,4-diethoxy-N-[4-(3-pyridylmethylthio)phenyl]benzenesulfonamide Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)OCC

InChI

InChI=1S/C22H24N2O4S2/c1-3-27-21-12-11-20(14-22(21)28-4-2)30(25,26)24-18-7-9-19(10-8-18)29-16-17-6-5-13-23-15-17/h5-15,24H,3-4,16H2,1-2H3