4-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethoxy]benzenecarbonitrile Openeye Name: 4-[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethoxy]benzonitrile CAS Name: 4-[2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethoxy]benzonitrile IUPAC Name: 4-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethoxy]benzonitrile Traditional Name: 4-[2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethoxy]benzonitrile Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H21N3O3S2/c20-14-16-4-6-17(7-5-16)25-12-13-26-19-9-8-18(15-21-19)27(23,24)22-10-2-1-3-11-22/h4-9,15H,1-3,10-13H2