6-(4-chlorophenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-5-methylsulfonyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-chlorophenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-5-methylsulfonyl-pyridine-3-carbonitrile Openeye Name: 6-(4-chlorophenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-5-methylsulfonyl-pyridine-3-carbonitrile CAS Name: 6-(4-chlorophenyl)-2-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-5-methylsulfonyl-3-pyridinecarbonitrile IUPAC Name: 6-(4-chlorophenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-5-methylsulfonylpyridine-3-carbonitrile Traditional Name: 6-(4-chlorophenyl)-5-mesyl-2-(4-pivaloylpiperazino)nicotinonitrile Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)C2=NC(=C(C=C2C#N)S(=O)(=O)C)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)C2=NC(=C(C=C2C#N)S(=O)(=O)C)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4O3S/c1-22(2,3)21(28)27-11-9-26(10-12-27)20-16(14-24)13-18(31(4,29)30)19(25-20)15-5-7-17(23)8-6-15/h5-8,13H,9-12H2,1-4H3