(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl ester IUPAC Name: (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid (5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl ester Formula: C18H22FN3O6S MolecularWeight: 427.447183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NO1)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)C1=NC(=NO1)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H22FN3O6S/c1-18(2,3)17-20-15(21-28-17)11-27-16(23)12-4-5-13(19)14(10-12)29(24,25)22-6-8-26-9-7-22/h4-5,10H,6-9,11H2,1-3H3