5-azanyl-2-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzenecarbonitrile

Systemtic Name: 5-azanyl-2-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzenecarbonitrile Openeye Name: 5-amino-2-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 5-amino-2-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 5-amino-2-[3-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 5-amino-2-(3-methylolpiperidino)sulfonyl-benzonitrile Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c14-7-11-6-12(15)3-4-13(11)20(18,19)16-5-1-2-10(8-16)9-17/h3-4,6,10,17H,1-2,5,8-9,15H2