2-[2-[4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile

Systemtic Name: 2-[2-[4-[2-(phenylsulfonyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile Openeye Name: 2-[2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile CAS Name: 2-[2-[4-[2-(benzenesulfonyl)ethyl]-1-piperazinyl]-4-pyrimidinyl]-2-(2-pyridinyl)acetonitrile IUPAC Name: 2-[2-[4-[2-(benzenesulfonyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile Traditional Name: 2-[2-[4-(2-besylethyl)piperazino]pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile Formula: C23H24N6O2S MolecularWeight: 448.54066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCS(=O)(=O)C2=CC=CC=C2)C3=NC=CC(=N3)C(C#N)C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1CCS(=O)(=O)C2=CC=CC=C2)C3=NC=CC(=N3)C(C#N)C4=CC=CC=N4

InChI

InChI=1S/C23H24N6O2S/c24-18-20(21-8-4-5-10-25-21)22-9-11-26-23(27-22)29-14-12-28(13-15-29)16-17-32(30,31)19-6-2-1-3-7-19/h1-11,20H,12-17H2