5-[4-(2-piperidin-1-ylsulfonylethyl)piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile

Systemtic Name: 5-[4-(2-piperidin-1-ylsulfonylethyl)piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-[2-(1-piperidylsulfonyl)ethyl]piperazin-1-yl]-2-(2-thienyl)pentanenitrile CAS Name: 5-[4-[2-(1-piperidinylsulfonyl)ethyl]-1-piperazinyl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile IUPAC Name: 5-[4-(2-piperidin-1-ylsulfonylethyl)piperazin-1-yl]-2-propan-2-yl-2-thiophen-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-(2-piperidinosulfonylethyl)piperazino]-2-(2-thienyl)valeronitrile Formula: C23H38N4O2S2 MolecularWeight: 466.70342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCS(=O)(=O)N2CCCCC2)(C#N)C3=CC=CS3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCS(=O)(=O)N2CCCCC2)(C#N)C3=CC=CS3

InChI

InChI=1S/C23H38N4O2S2/c1-21(2)23(20-24,22-8-6-18-30-22)9-7-10-25-13-15-26(16-14-25)17-19-31(28,29)27-11-4-3-5-12-27/h6,8,18,21H,3-5,7,9-17,19H2,1-2H3