2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)pyridine-3-carbonitrile CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)pyridine-3-carbonitrile Traditional Name: 2-(4-benzylsulfonylpiperazino)nicotinonitrile Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S/c18-13-16-7-4-8-19-17(16)20-9-11-21(12-10-20)24(22,23)14-15-5-2-1-3-6-15/h1-8H,9-12,14H2