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

Systemtic Name: 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-5-methylsulfonyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-5-methylsulfonyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-5-methylsulfonyl-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-5-methylsulfonyl-6-phenylpyridine-3-carbonitrile Traditional Name: 5-mesyl-6-phenyl-2-(4-pivaloylpiperazino)nicotinonitrile Formula: C22H26N4O3S MolecularWeight: 426.53184

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-22(2,3)21(27)26-12-10-25(11-13-26)20-17(15-23)14-18(30(4,28)29)19(24-20)16-8-6-5-7-9-16/h5-9,14H,10-13H2,1-4H3