3-[4-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]oxymethyl]piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[[5-(4-methylsulfonylphenyl)-2-pyridyl]oxymethyl]piperidine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[[5-(4-methylsulfonylphenyl)pyridin-2-yl]oxymethyl]piperidine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[5-(4-mesylphenyl)-2-pyridyl]oxymethyl]piperidine-1-carbonyl]benzonitrile Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C=C2)OCC3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C=C2)OCC3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H25N3O4S/c1-34(31,32)24-8-5-21(6-9-24)23-7-10-25(28-17-23)33-18-19-11-13-29(14-12-19)26(30)22-4-2-3-20(15-22)16-27/h2-10,15,17,19H,11-14,18H2,1H3