tert-butyl 3-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)phenoxy]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)phenoxy]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[4-(2-fluoro-4-methylsulfonyl-phenyl)phenoxy]azetidine-1-carboxylate CAS Name: 3-[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]azetidine-1-carboxylate Traditional Name: 3-[4-(2-fluoro-4-mesyl-phenyl)phenoxy]azetidine-1-carboxylic acid tert-butyl ester Formula: C21H24FNO5S MolecularWeight: 421.482363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(C1)OC2=CC=C(C=C2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C1)OC2=CC=C(C=C2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C21H24FNO5S/c1-21(2,3)28-20(24)23-12-16(13-23)27-15-7-5-14(6-8-15)18-10-9-17(11-19(18)22)29(4,25)26/h5-11,16H,12-13H2,1-4H3