3-[[2-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[2-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 3-[[2-(hydroxymethyl)-1-piperidyl]sulfonylmethyl]benzonitrile CAS Name: 3-[[2-(hydroxymethyl)-1-piperidinyl]sulfonylmethyl]benzonitrile IUPAC Name: 3-[[2-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile Traditional Name: 3-[(2-methylolpiperidino)sulfonylmethyl]benzonitrile Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)S(=O)(=O)CC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CCN(C(C1)CO)S(=O)(=O)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H18N2O3S/c15-9-12-4-3-5-13(8-12)11-20(18,19)16-7-2-1-6-14(16)10-17/h3-5,8,14,17H,1-2,6-7,10-11H2