3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[2-(hydroxymethyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[2-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-(2-methylolpiperidino)sulfonylbenzonitrile Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c14-9-11-4-3-6-13(8-11)19(17,18)15-7-2-1-5-12(15)10-16/h3-4,6,8,12,16H,1-2,5,7,10H2