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

Systemtic Name: 3-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-(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(=C2)C#N)CO

Isomeric SMILES

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

InChI

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