3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile CAS Name: 3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 3-[4-(2-pyrimidyl)piperazino]sulfonylbenzonitrile Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C15H15N5O2S/c16-12-13-3-1-4-14(11-13)23(21,22)20-9-7-19(8-10-20)15-17-5-2-6-18-15/h1-6,11H,7-10H2