2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[[5-[3-(1-piperidylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[[5-[3-(1-piperidinylsulfonyl)phenyl]-1,3,4-oxadiazol-2-yl]thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[[5-(3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[[5-(3-piperidinosulfonylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1,3-benzoxazole Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN=C(O3)SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C21H20N4O4S2/c26-31(27,25-11-4-1-5-12-25)16-8-6-7-15(13-16)20-23-24-21(29-20)30-14-19-22-17-9-2-3-10-18(17)28-19/h2-3,6-10,13H,1,4-5,11-12,14H2