2-fluoranyl-5-[[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]sulfamoyl]benzoic acid

Systemtic Name: 2-fluoranyl-5-[[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]sulfamoyl]benzoic acid Openeye Name: 2-fluoro-5-[[(3-morpholinosulfonylbenzoyl)amino]sulfamoyl]benzoic acid CAS Name: 2-fluoro-5-[[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]sulfamoyl]benzoic acid IUPAC Name: 2-fluoro-5-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]sulfamoyl]benzoic acid Traditional Name: 2-fluoro-5-[[(3-morpholinosulfonylbenzoyl)amino]sulfamoyl]benzoic acid Formula: C18H18FN3O8S2 MolecularWeight: 487.479223

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NNS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NNS(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C18H18FN3O8S2/c19-16-5-4-13(11-15(16)18(24)25)31(26,27)21-20-17(23)12-2-1-3-14(10-12)32(28,29)22-6-8-30-9-7-22/h1-5,10-11,21H,6-9H2,(H,20,23)(H,24,25)