3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 3-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 3-(4-methylolpiperidino)sulfonylbenzonitrile Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CO)S(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCC1CO)S(=O)(=O)C2=CC=CC(=C2)C#N

InChI

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