propan-2-yl 4-[6-[(4-cyclopropylsulfonyl-2-fluoranyl-phenyl)amino]-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: propan-2-yl 4-[6-[(4-cyclopropylsulfonyl-2-fluoranyl-phenyl)amino]-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[6-(4-cyclopropylsulfonyl-2-fluoro-anilino)-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-(4-cyclopropylsulfonyl-2-fluoroanilino)-5-methoxy-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-(4-cyclopropylsulfonyl-2-fluoro-anilino)-5-methoxy-pyrimidin-4-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C23H29FN4O6S MolecularWeight: 508.562963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2OC)NC3=C(C=C(C=C3)S(=O)(=O)C4CC4)F

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2OC)NC3=C(C=C(C=C3)S(=O)(=O)C4CC4)F

InChI

InChI=1S/C23H29FN4O6S/c1-14(2)33-23(29)28-10-8-15(9-11-28)34-22-20(32-3)21(25-13-26-22)27-19-7-6-17(12-18(19)24)35(30,31)16-4-5-16/h6-7,12-16H,4-5,8-11H2,1-3H3,(H,25,26,27)