2-[2-[4-[(4-methylsulfonylphenyl)methyl]piperazin-1-yl]pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=NC=CC(=N3)C(C#N)C4=CC=CC=N4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCN(CC2)C3=NC=CC(=N3)C(C#N)C4=CC=CC=N4

InChI

InChI=1S/C23H24N6O2S/c1-32(30,31)19-7-5-18(6-8-19)17-28-12-14-29(15-13-28)23-26-11-9-22(27-23)20(16-24)21-4-2-3-10-25-21/h2-11,20H,12-15,17H2,1H3