3-(3-methylsulfonylphenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-methylsulfonylphenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole Openeye Name: 3-(3-methylsulfonylphenyl)-5-[1-(3-pyridylmethyl)-4-piperidyl]-1,2,4-oxadiazole CAS Name: 3-(3-methylsulfonylphenyl)-5-[1-(3-pyridinylmethyl)-4-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-methylsulfonylphenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole Traditional Name: 3-(3-mesylphenyl)-5-[1-(3-pyridylmethyl)-4-piperidyl]-1,2,4-oxadiazole Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C2=NOC(=N2)C3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C2=NOC(=N2)C3CCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C20H22N4O3S/c1-28(25,26)18-6-2-5-17(12-18)19-22-20(27-23-19)16-7-10-24(11-8-16)14-15-4-3-9-21-13-15/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3