3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[5-(1,3-benzodioxol-5-ylmethylthio)-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[5-(1,3-benzodioxol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]-N,N-diethylbenzenesulfonamide Traditional Name: N,N-diethyl-3-[5-(piperonylthio)-1,3,4-oxadiazol-2-yl]benzenesulfonamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O5S2/c1-3-23(4-2)30(24,25)16-7-5-6-15(11-16)19-21-22-20(28-19)29-12-14-8-9-17-18(10-14)27-13-26-17/h5-11H,3-4,12-13H2,1-2H3