5-[(2-bromanyl-4-ethoxycarbonyl-phenyl)sulfonylamino]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[(2-bromanyl-4-ethoxycarbonyl-phenyl)sulfonylamino]-2-fluoranyl-benzoic acid Openeye Name: 5-[(2-bromo-4-ethoxycarbonyl-phenyl)sulfonylamino]-2-fluoro-benzoic acid CAS Name: 5-[(2-bromo-4-ethoxycarbonylphenyl)sulfonylamino]-2-fluorobenzoic acid IUPAC Name: 5-[(2-bromo-4-ethoxycarbonylphenyl)sulfonylamino]-2-fluorobenzoic acid Traditional Name: 5-[(2-bromo-4-carbethoxy-phenyl)sulfonylamino]-2-fluoro-benzoic acid Formula: C16H13BrFNO6S MolecularWeight: 446.244923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)C(=O)O)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)F)C(=O)O)Br

InChI

InChI=1S/C16H13BrFNO6S/c1-2-25-16(22)9-3-6-14(12(17)7-9)26(23,24)19-10-4-5-13(18)11(8-10)15(20)21/h3-8,19H,2H2,1H3,(H,20,21)