5-[[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylamino]sulfamoyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylamino]sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[[(3-bromo-4-ethoxy-5-methoxy-benzoyl)amino]sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-[[[(3-bromo-4-ethoxy-5-methoxyphenyl)-oxomethyl]amino]sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-[[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-[[(3-bromo-4-ethoxy-5-methoxy-benzoyl)amino]sulfamoyl]-2-fluoro-benzoic acid Formula: C17H16BrFN2O7S MolecularWeight: 491.285543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NNS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NNS(=O)(=O)C2=CC(=C(C=C2)F)C(=O)O)OC

InChI

InChI=1S/C17H16BrFN2O7S/c1-3-28-15-12(18)6-9(7-14(15)27-2)16(22)20-21-29(25,26)10-4-5-13(19)11(8-10)17(23)24/h4-8,21H,3H2,1-2H3,(H,20,22)(H,23,24)