4-[4-(2-pyridin-2-ylethylsulfonyl)piperazin-1-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-pyridin-2-ylethylsulfonyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 4-[4-[2-(2-pyridyl)ethylsulfonyl]piperazin-1-yl]benzonitrile CAS Name: 4-[4-[2-(2-pyridinyl)ethylsulfonyl]-1-piperazinyl]benzonitrile IUPAC Name: 4-[4-(2-pyridin-2-ylethylsulfonyl)piperazin-1-yl]benzonitrile Traditional Name: 4-[4-[2-(2-pyridyl)ethylsulfonyl]piperazino]benzonitrile Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)CCC3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C#N)S(=O)(=O)CCC3=CC=CC=N3

InChI

InChI=1S/C18H20N4O2S/c19-15-16-4-6-18(7-5-16)21-10-12-22(13-11-21)25(23,24)14-8-17-3-1-2-9-20-17/h1-7,9H,8,10-14H2