[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-morpholino-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(4-morpholinyl)benzoic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-morpholino-benzoic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C21H24FN3O6S MolecularWeight: 465.495163

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)OCC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H24FN3O6S/c1-24(2)32(28,29)17-6-7-19(25-8-10-30-11-9-25)18(13-17)21(27)31-14-20(26)23-16-5-3-4-15(22)12-16/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,26)