4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)carbonylbenzenecarbonitrile

Systemtic Name: 4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)carbonylbenzenecarbonitrile Openeye Name: 4-[4-(3-pyridylsulfonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-(3-pyridinylsulfonyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)benzonitrile Traditional Name: 4-[4-(3-pyridylsulfonyl)piperazine-1-carbonyl]benzonitrile Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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