[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: [5-(4-fluorophenyl)oxazol-2-yl]methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [5-(4-fluorophenyl)-2-oxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid [5-(4-fluorophenyl)oxazol-2-yl]methyl ester Formula: C20H16FN3O5S MolecularWeight: 429.421543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(O2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N)F

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(O2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N)F

InChI

InChI=1S/C20H16FN3O5S/c21-16-6-2-14(3-7-16)18-12-23-19(29-18)13-28-20(25)15-4-8-17(9-5-15)30(26,27)24-11-1-10-22/h2-9,12,24H,1,11,13H2