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

Systemtic Name: propan-2-yl 4-[6-[(4-cyclopropylsulfonyl-2-fluoranyl-phenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: isopropyl 4-[6-(4-cyclopropylsulfonyl-2-fluoro-anilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-(4-cyclopropylsulfonyl-2-fluoroanilino)-4-pyrimidinyl]oxy]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[6-(4-cyclopropylsulfonyl-2-fluoroanilino)pyrimidin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-(4-cyclopropylsulfonyl-2-fluoro-anilino)pyrimidin-4-yl]oxypiperidine-1-carboxylic acid isopropyl ester Formula: C22H27FN4O5S MolecularWeight: 478.536983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)NC3=C(C=C(C=C3)S(=O)(=O)C4CC4)F

Isomeric SMILES

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)NC3=C(C=C(C=C3)S(=O)(=O)C4CC4)F

InChI

InChI=1S/C22H27FN4O5S/c1-14(2)31-22(28)27-9-7-15(8-10-27)32-21-12-20(24-13-25-21)26-19-6-5-17(11-18(19)23)33(29,30)16-3-4-16/h5-6,11-16H,3-4,7-10H2,1-2H3,(H,24,25,26)