2-methylsulfonyl-4-(4-phenylpiperidin-1-yl)-6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidine-5-carbonitrile

Systemtic Name: 2-methylsulfonyl-4-(4-phenylpiperidin-1-yl)-6-[2,2,2-tris(fluoranyl)ethoxy]pyrimidine-5-carbonitrile Openeye Name: 2-methylsulfonyl-4-(4-phenyl-1-piperidyl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile CAS Name: 2-methylsulfonyl-4-(4-phenyl-1-piperidinyl)-6-(2,2,2-trifluoroethoxy)-5-pyrimidinecarbonitrile IUPAC Name: 2-methylsulfonyl-4-(4-phenylpiperidin-1-yl)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile Traditional Name: 2-mesyl-4-(4-phenylpiperidino)-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carbonitrile Formula: C19H19F3N4O3S MolecularWeight: 440.43937

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(C(=N1)OCC(F)(F)F)C#N)N2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(C(=N1)OCC(F)(F)F)C#N)N2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H19F3N4O3S/c1-30(27,28)18-24-16(15(11-23)17(25-18)29-12-19(20,21)22)26-9-7-14(8-10-26)13-5-3-2-4-6-13/h2-6,14H,7-10,12H2,1H3