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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2C#N)CO

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2C#N)CO

InChI

InChI=1S/C13H16N2O3S/c14-8-12-5-1-2-6-13(12)19(17,18)15-7-3-4-11(9-15)10-16/h1-2,5-6,11,16H,3-4,7,9-10H2