3-[[4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]phenyl]sulfonylamino]propionic acid Formula: C17H16BrFN2O6S MolecularWeight: 475.286143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)COC2=C(C=C(C=C2)Br)F)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)COC2=C(C=C(C=C2)Br)F)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C17H16BrFN2O6S/c18-11-1-6-15(14(19)9-11)27-10-16(22)21-12-2-4-13(5-3-12)28(25,26)20-8-7-17(23)24/h1-6,9,20H,7-8,10H2,(H,21,22)(H,23,24)