3-[[4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[3-(4-mesylphenyl)-1,2,4-oxadiazol-5-yl]piperidino]methyl]benzonitrile Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H22N4O3S/c1-30(27,28)20-7-5-18(6-8-20)21-24-22(29-25-21)19-9-11-26(12-10-19)15-17-4-2-3-16(13-17)14-23/h2-8,13,19H,9-12,15H2,1H3