2-[4-(3-methylsulfonylphenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-(3-methylsulfonylphenyl)carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(3-methylsulfonylphenyl)-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(3-mesylbenzoyl)piperazino]isonicotinonitrile Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C18H18N4O3S/c1-26(24,25)16-4-2-3-15(12-16)18(23)22-9-7-21(8-10-22)17-11-14(13-19)5-6-20-17/h2-6,11-12H,7-10H2,1H3