2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(3-piperidinosulfonylphenyl)-5-(piperonylthio)-1,3,4-oxadiazole Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N3O5S2/c25-31(26,24-9-2-1-3-10-24)17-6-4-5-16(12-17)20-22-23-21(29-20)30-13-15-7-8-18-19(11-15)28-14-27-18/h4-8,11-12H,1-3,9-10,13-14H2