2-[4-(phenylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(phenylcarbonyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-(4-benzoylpiperazin-1-yl)sulfonylbenzonitrile CAS Name: 2-[(4-benzoyl-1-piperazinyl)sulfonyl]benzonitrile IUPAC Name: 2-(4-benzoylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 2-(4-benzoylpiperazino)sulfonylbenzonitrile Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c19-14-16-8-4-5-9-17(16)25(23,24)21-12-10-20(11-13-21)18(22)15-6-2-1-3-7-15/h1-9H,10-13H2