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

Systemtic Name: N,N-diethyl-3-[5-(oxan-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-(tetrahydropyran-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[5-(2-oxanylmethylthio)-1,3,4-oxadiazol-2-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-(oxan-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-(tetrahydropyran-2-ylmethylthio)-1,3,4-oxadiazol-2-yl]benzenesulfonamide Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3CCCCO3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3CCCCO3

InChI

InChI=1S/C18H25N3O4S2/c1-3-21(4-2)27(22,23)16-10-7-8-14(12-16)17-19-20-18(25-17)26-13-15-9-5-6-11-24-15/h7-8,10,12,15H,3-6,9,11,13H2,1-2H3