4-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[3-(hydroxymethyl)-1-piperidyl]sulfonylmethyl]benzonitrile CAS Name: 4-[[3-(hydroxymethyl)-1-piperidinyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile Traditional Name: 4-[(3-methylolpiperidino)sulfonylmethyl]benzonitrile Formula: C14H18N2O3S MolecularWeight: 294.36932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)C#N)CO

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=C(C=C2)C#N)CO

InChI

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