2-[4-(phenylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(phenylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-(4-besylpiperazino)nicotinonitrile Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c17-13-14-5-4-8-18-16(14)19-9-11-20(12-10-19)23(21,22)15-6-2-1-3-7-15/h1-8H,9-12H2