tert-butyl (3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-methylsulfonyl-pyrimidin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-methylsulfonyl-pyrimidin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl (3S)-3-[5-(3-methylisoxazol-5-yl)-2-methylsulfonyl-pyrimidin-4-yl]piperidine-1-carboxylate CAS Name: (3S)-3-[5-(3-methyl-5-isoxazolyl)-2-methylsulfonyl-4-pyrimidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[5-(3-methyl-1,2-oxazol-5-yl)-2-methylsulfonylpyrimidin-4-yl]piperidine-1-carboxylate Traditional Name: (3S)-3-[2-mesyl-5-(3-methylisoxazol-5-yl)pyrimidin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CN=C(N=C2C3CCCN(C3)C(=O)OC(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=NOC(=C1)C2=CN=C(N=C2[C@H]3CCCN(C3)C(=O)OC(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C19H26N4O5S/c1-12-9-15(28-22-12)14-10-20-17(29(5,25)26)21-16(14)13-7-6-8-23(11-13)18(24)27-19(2,3)4/h9-10,13H,6-8,11H2,1-5H3/t13-/m0/s1