2-(phenylsulfonyl)-3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propanenitrile

Systemtic Name: 2-(phenylsulfonyl)-3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propanenitrile Openeye Name: 2-(benzenesulfonyl)-3-(1-piperidyl)-2-(1-piperidylmethyl)propanenitrile CAS Name: 2-(benzenesulfonyl)-3-(1-piperidinyl)-2-(1-piperidinylmethyl)propanenitrile IUPAC Name: 2-(benzenesulfonyl)-3-piperidin-1-yl-2-(piperidin-1-ylmethyl)propanenitrile Traditional Name: 2-besyl-3-piperidino-2-(piperidinomethyl)propionitrile Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(CN2CCCCC2)(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CC(CN2CCCCC2)(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H29N3O2S/c21-16-20(17-22-12-6-2-7-13-22,18-23-14-8-3-9-15-23)26(24,25)19-10-4-1-5-11-19/h1,4-5,10-11H,2-3,6-9,12-15,17-18H2