propan-2-yl (3S,4R)-3-fluoranyl-4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxy-piperidine-1-carboxylate

Systemtic Name: propan-2-yl (3S,4R)-3-fluoranyl-4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxy-piperidine-1-carboxylate Openeye Name: isopropyl (3S,4R)-3-fluoro-4-[6-(5-methylsulfonylindolin-1-yl)pyrimidin-4-yl]oxy-piperidine-1-carboxylate CAS Name: (3S,4R)-3-fluoro-4-[[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S,4R)-3-fluoro-4-[6-(5-methylsulfonyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: (3S,4R)-3-fluoro-4-[6-(5-mesylindolin-1-yl)pyrimidin-4-yl]oxy-piperidine-1-carboxylic acid isopropyl ester Formula: C22H27FN4O5S MolecularWeight: 478.536983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(C(C1)F)OC2=NC=NC(=C2)N3CCC4=C3C=CC(=C4)S(=O)(=O)C

Isomeric SMILES

CC(C)OC(=O)N1CC[C@H]([C@H](C1)F)OC2=NC=NC(=C2)N3CCC4=C3C=CC(=C4)S(=O)(=O)C

InChI

InChI=1S/C22H27FN4O5S/c1-14(2)31-22(28)26-8-7-19(17(23)12-26)32-21-11-20(24-13-25-21)27-9-6-15-10-16(33(3,29)30)4-5-18(15)27/h4-5,10-11,13-14,17,19H,6-9,12H2,1-3H3/t17-,19+/m0/s1