4-chloranyl-2-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzenecarbonitrile Openeye Name: 4-chloro-2-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-chloro-2-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-chloro-2-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-chloro-2-(3-methylolpiperidino)sulfonyl-benzonitrile Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O3S/c14-12-4-3-11(7-15)13(6-12)20(18,19)16-5-1-2-10(8-16)9-17/h3-4,6,10,17H,1-2,5,8-9H2