4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[2-(hydroxymethyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[2-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-(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=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c14-9-11-4-6-13(7-5-11)19(17,18)15-8-2-1-3-12(15)10-16/h4-7,12,16H,1-3,8,10H2