tert-butyl 4-[1-(4-methylsulfonylphenyl)-2-oxidanylidene-pyridin-4-yl]oxypiperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-methylsulfonylphenyl)-2-oxidanylidene-pyridin-4-yl]oxypiperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridyl]oxy]piperidine-1-carboxylate CAS Name: 4-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-methylsulfonylphenyl)-2-oxopyridin-4-yl]oxypiperidine-1-carboxylate Traditional Name: 4-[[2-keto-1-(4-mesylphenyl)-4-pyridyl]oxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=O)N(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H28N2O6S/c1-22(2,3)30-21(26)23-12-9-17(10-13-23)29-18-11-14-24(20(25)15-18)16-5-7-19(8-6-16)31(4,27)28/h5-8,11,14-15,17H,9-10,12-13H2,1-4H3