6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-(4-benzylsulfonylpiperazin-1-yl)pyridine-3-carbonitrile CAS Name: 6-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-(4-benzylsulfonylpiperazin-1-yl)pyridine-3-carbonitrile Traditional Name: 6-(4-benzylsulfonylpiperazino)nicotinonitrile Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

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