2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(pyridine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-(4-nicotinoylpiperazino)sulfonylbenzonitrile Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H16N4O3S/c18-12-14-4-1-2-6-16(14)25(23,24)21-10-8-20(9-11-21)17(22)15-5-3-7-19-13-15/h1-7,13H,8-11H2