2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazole CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazole IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazole Formula: C21H20ClN3O5S2 MolecularWeight: 493.9836

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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)Cl)OCO5

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O5S2/c22-17-9-14(10-18-19(17)29-13-28-18)12-31-21-24-23-20(30-21)15-5-4-6-16(11-15)32(26,27)25-7-2-1-3-8-25/h4-6,9-11H,1-3,7-8,12-13H2