3-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[(5-bromo-2-methoxy-phenyl)sulfonylamino]-3-(4-fluorophenyl)propionic acid Formula: C16H15BrFNO5S MolecularWeight: 432.261403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CC(=O)O)C2=CC=C(C=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(CC(=O)O)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H15BrFNO5S/c1-24-14-7-4-11(17)8-15(14)25(22,23)19-13(9-16(20)21)10-2-5-12(18)6-3-10/h2-8,13,19H,9H2,1H3,(H,20,21)