tert-butyl 3-[[1-(4-methylsulfonylphenyl)-2-oxidanylidene-pyridin-4-yl]oxymethyl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-(4-methylsulfonylphenyl)-2-oxidanylidene-pyridin-4-yl]oxymethyl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridyl]oxymethyl]azetidine-1-carboxylate CAS Name: 3-[[1-(4-methylsulfonylphenyl)-2-oxo-4-pyridinyl]oxymethyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-(4-methylsulfonylphenyl)-2-oxopyridin-4-yl]oxymethyl]azetidine-1-carboxylate Traditional Name: 3-[[2-keto-1-(4-mesylphenyl)-4-pyridyl]oxymethyl]azetidine-1-carboxylic acid tert-butyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)COC2=CC(=O)N(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)COC2=CC(=O)N(C=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O6S/c1-21(2,3)29-20(25)22-12-15(13-22)14-28-17-9-10-23(19(24)11-17)16-5-7-18(8-6-16)30(4,26)27/h5-11,15H,12-14H2,1-4H3