2-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[4-(2-pyrimidyl)piperazino]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H25N7O3S MolecularWeight: 455.5333

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C4=NC=CC=N4

InChI

InChI=1S/C21H25N7O3S/c22-16-18-4-1-2-5-19(18)32(30,31)28-14-12-26(13-15-28)20(29)17-25-8-10-27(11-9-25)21-23-6-3-7-24-21/h1-7H,8-15,17H2