ethyl 4-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluoranyl-phenyl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluoranyl-phenyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluoro-phenyl]sulfamoyl]benzoate CAS Name: 4-[[4-(2,6-dimethyl-4-morpholinyl)-3-fluorophenyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]sulfamoyl]benzoate Traditional Name: 4-[[4-(2,6-dimethylmorpholino)-3-fluoro-phenyl]sulfamoyl]benzoic acid ethyl ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CC(OC(C3)C)C)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)N3CC(OC(C3)C)C)F

InChI

InChI=1S/C21H25FN2O5S/c1-4-28-21(25)16-5-8-18(9-6-16)30(26,27)23-17-7-10-20(19(22)11-17)24-12-14(2)29-15(3)13-24/h5-11,14-15,23H,4,12-13H2,1-3H3