tert-butyl 4-[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)carbamoyl]pyridazin-3-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[(2-fluoranyl-4-methylsulfonyl-phenyl)carbamoyl]pyridazin-3-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[6-[(2-fluoro-4-methylsulfonyl-phenyl)carbamoyl]pyridazin-3-yl]oxypiperidine-1-carboxylate CAS Name: 4-[[6-[(2-fluoro-4-methylsulfonylanilino)-oxomethyl]-3-pyridazinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[(2-fluoro-4-methylsulfonylphenyl)carbamoyl]pyridazin-3-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[6-[(2-fluoro-4-mesyl-phenyl)carbamoyl]pyridazin-3-yl]oxypiperidine-1-carboxylic acid tert-butyl ester Formula: C22H27FN4O6S MolecularWeight: 494.536383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FN4O6S/c1-22(2,3)33-21(29)27-11-9-14(10-12-27)32-19-8-7-18(25-26-19)20(28)24-17-6-5-15(13-16(17)23)34(4,30)31/h5-8,13-14H,9-12H2,1-4H3,(H,24,28)