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

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H18FN3O6S MolecularWeight: 447.436823

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CC=C4)F

InChI

InChI=1S/C20H18FN3O6S/c21-16-7-6-15(12-17(16)31(26,27)24-8-10-28-11-9-24)20(25)29-13-18-22-19(23-30-18)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2