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

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C20H18BrN3O6S MolecularWeight: 508.34242

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4)Br

InChI

InChI=1S/C20H18BrN3O6S/c21-16-7-6-15(12-17(16)31(26,27)24-8-10-28-11-9-24)20(25)29-13-18-22-23-19(30-18)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2