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

Systemtic Name: butyl 4-[6-[(4-cyclopropylsulfonyl-2-fluoranyl-phenyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H29FN4O5S MolecularWeight: 492.563563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN4O5S/c1-2-3-12-32-23(29)28-10-8-16(9-11-28)33-22-14-21(25-15-26-22)27-20-7-6-18(13-19(20)24)34(30,31)17-4-5-17/h6-7,13-17H,2-5,8-12H2,1H3,(H,25,26,27)