[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C20H22FN3O8S2 MolecularWeight: 515.532383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C20H22FN3O8S2/c1-13(19(25)23-14-2-4-15(5-3-14)33(22,27)28)32-20(26)17-12-16(6-7-18(17)21)34(29,30)24-8-10-31-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,23,25)(H2,22,27,28)