3-[(3-azanylpiperidin-1-yl)sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(3-azanylpiperidin-1-yl)sulfonylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-amino-1-piperidyl)sulfonylmethyl]benzonitrile CAS Name: 3-[(3-amino-1-piperidinyl)sulfonylmethyl]benzonitrile IUPAC Name: 3-[(3-aminopiperidin-1-yl)sulfonylmethyl]benzonitrile Traditional Name: 3-[(3-aminopiperidino)sulfonylmethyl]benzonitrile Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC(=C2)C#N)N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC(=C2)C#N)N

InChI

InChI=1S/C13H17N3O2S/c14-8-11-3-1-4-12(7-11)10-19(17,18)16-6-2-5-13(15)9-16/h1,3-4,7,13H,2,5-6,9-10,15H2