N,N-diethyl-3-[5-[(5-nitro-2-oxidanyl-phenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[5-[(5-nitro-2-oxidanyl-phenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[5-[(2-hydroxy-5-nitro-phenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-[5-[(2-hydroxy-5-nitrophenyl)methylthio]-1,3,4-oxadiazol-2-yl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[5-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[5-[(2-hydroxy-5-nitro-benzyl)thio]-1,3,4-oxadiazol-2-yl]benzenesulfonamide Formula: C19H20N4O6S2 MolecularWeight: 464.5153

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=NN=C(O2)SCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H20N4O6S2/c1-3-22(4-2)31(27,28)16-7-5-6-13(11-16)18-20-21-19(29-18)30-12-14-10-15(23(25)26)8-9-17(14)24/h5-11,24H,3-4,12H2,1-2H3