1-[3-nitro-4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]phenyl]ethanone Formula: C21H20N4O6S2 MolecularWeight: 488.5367

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SC2=NN=C(O2)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6S2/c1-14(26)15-8-9-19(18(13-15)25(27)28)32-21-23-22-20(31-21)16-6-5-7-17(12-16)33(29,30)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11H2,1H3