2-[1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-oxidanylidene-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 2-[1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-oxidanylidene-5-pyridin-2-yl-pyridin-3-yl]benzenecarbonitrile Openeye Name: 2-[1-methyl-4-(1-methylsulfonyl-4-piperidyl)-2-oxo-5-(2-pyridyl)-3-pyridyl]benzonitrile CAS Name: 2-[1-methyl-4-(1-methylsulfonyl-4-piperidinyl)-2-oxo-5-(2-pyridinyl)-3-pyridinyl]benzonitrile IUPAC Name: 2-[1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-oxo-5-pyridin-2-ylpyridin-3-yl]benzonitrile Traditional Name: 2-[2-keto-4-(1-mesyl-4-piperidyl)-1-methyl-5-(2-pyridyl)-3-pyridyl]benzonitrile Formula: C24H24N4O3S MolecularWeight: 448.53736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C(C1=O)C2=CC=CC=C2C#N)C3CCN(CC3)S(=O)(=O)C)C4=CC=CC=N4

Isomeric SMILES

CN1C=C(C(=C(C1=O)C2=CC=CC=C2C#N)C3CCN(CC3)S(=O)(=O)C)C4=CC=CC=N4

InChI

InChI=1S/C24H24N4O3S/c1-27-16-20(21-9-5-6-12-26-21)22(17-10-13-28(14-11-17)32(2,30)31)23(24(27)29)19-8-4-3-7-18(19)15-25/h3-9,12,16-17H,10-11,13-14H2,1-2H3