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

Systemtic Name: 2-[4-(2-methylsulfonylpropanoyl)piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-(2-methylsulfonylpropanoyl)piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-(2-methylsulfonyl-1-oxopropyl)-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-(2-methylsulfonylpropanoyl)piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-(2-mesylpropanoyl)piperazino]isonicotinonitrile Formula: C14H18N4O3S MolecularWeight: 322.38272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=NC=CC(=C2)C#N)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=NC=CC(=C2)C#N)S(=O)(=O)C

InChI

InChI=1S/C14H18N4O3S/c1-11(22(2,20)21)14(19)18-7-5-17(6-8-18)13-9-12(10-15)3-4-16-13/h3-4,9,11H,5-8H2,1-2H3