2-(3-piperidin-1-ylsulfonylphenyl)-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(3-piperidin-1-ylsulfonylphenyl)-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-[3-(1-piperidylsulfonyl)phenyl]-5-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-[3-(1-piperidinylsulfonyl)phenyl]-5-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(3-piperidin-1-ylsulfonylphenyl)-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(3-piperidinosulfonylphenyl)-5-[[5-(2-thienyl)isoxazol-3-yl]methylthio]-1,3,4-oxadiazole Formula: C21H20N4O4S3 MolecularWeight: 488.6029

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C21H20N4O4S3/c26-32(27,25-9-2-1-3-10-25)17-7-4-6-15(12-17)20-22-23-21(28-20)31-14-16-13-18(29-24-16)19-8-5-11-30-19/h4-8,11-13H,1-3,9-10,14H2