tert-butyl 4-[5-cyano-6-[(4-methylsulfonylphenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-cyano-6-[(4-methylsulfonylphenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-cyano-6-(4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[5-cyano-6-(4-methylsulfonylanilino)-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-cyano-6-(4-methylsulfonylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[5-cyano-6-(4-mesylanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C22H27N5O5S MolecularWeight: 473.54528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2C#N)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2C#N)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H27N5O5S/c1-22(2,3)32-21(28)27-11-9-16(10-12-27)31-20-18(13-23)19(24-14-25-20)26-15-5-7-17(8-6-15)33(4,29)30/h5-8,14,16H,9-12H2,1-4H3,(H,24,25,26)