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

Systemtic Name: 4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]benzonitrile IUPAC Name: 4-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]benzonitrile Formula: C18H19N3O2S2 MolecularWeight: 373.49236

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H19N3O2S2/c19-12-15-4-6-16(7-5-15)14-24-18-9-8-17(13-20-18)25(22,23)21-10-2-1-3-11-21/h4-9,13H,1-3,10-11,14H2