5-azanyl-2-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzenecarbonitrile

Systemtic Name: 5-azanyl-2-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzenecarbonitrile Openeye Name: 5-amino-2-[[2-(hydroxymethyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 5-amino-2-[[2-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 5-amino-2-(2-methylolpiperidino)sulfonyl-benzonitrile Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c14-8-10-7-11(15)4-5-13(10)20(18,19)16-6-2-1-3-12(16)9-17/h4-5,7,12,17H,1-3,6,9,15H2