5-methylsulfonyl-6-phenyl-2-piperazin-1-yl-pyridine-3-carbonitrile

Systemtic Name: 5-methylsulfonyl-6-phenyl-2-piperazin-1-yl-pyridine-3-carbonitrile Openeye Name: 5-methylsulfonyl-6-phenyl-2-piperazin-1-yl-pyridine-3-carbonitrile CAS Name: 5-methylsulfonyl-6-phenyl-2-(1-piperazinyl)-3-pyridinecarbonitrile IUPAC Name: 5-methylsulfonyl-6-phenyl-2-piperazin-1-ylpyridine-3-carbonitrile Traditional Name: 5-mesyl-6-phenyl-2-piperazino-nicotinonitrile Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCNCC2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=C(N=C(C(=C1)C#N)N2CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S/c1-24(22,23)15-11-14(12-18)17(21-9-7-19-8-10-21)20-16(15)13-5-3-2-4-6-13/h2-6,11,19H,7-10H2,1H3