[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C19H20FN3O6S MolecularWeight: 437.442003

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F

InChI

InChI=1S/C19H20FN3O6S/c20-17-6-5-15(30(21,26)27)11-16(17)19(25)29-12-18(24)22-13-1-3-14(4-2-13)23-7-9-28-10-8-23/h1-6,11H,7-10,12H2,(H,22,24)(H2,21,26,27)