5-azanyl-2-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzenecarbonitrile

Systemtic Name: 5-azanyl-2-[4-(hydroxymethyl)piperidin-1-yl]sulfonyl-benzenecarbonitrile Openeye Name: 5-amino-2-[[4-(hydroxymethyl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 5-amino-2-[[4-(hydroxymethyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 5-amino-2-[4-(hydroxymethyl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 5-amino-2-(4-methylolpiperidino)sulfonyl-benzonitrile Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S/c14-8-11-7-12(15)1-2-13(11)20(18,19)16-5-3-10(9-17)4-6-16/h1-2,7,10,17H,3-6,9,15H2