1-[2-[4-(7-bromanylquinolin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid

Systemtic Name: 1-[2-[4-(7-bromanylquinolin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid Openeye Name: 1-[2-[4-[(7-bromo-2-quinolyl)oxy]phenoxy]propanoylamino]ethanesulfonic acid CAS Name: 1-[[2-[4-[(7-bromo-2-quinolinyl)oxy]phenoxy]-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 1-[2-[4-(7-bromoquinolin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid Traditional Name: 1-[2-[4-[(7-bromo-2-quinolyl)oxy]phenoxy]propanoylamino]ethanesulfonic acid Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)S(=O)(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(C=CC(=C3)Br)C=C2

Isomeric SMILES

CC(C(=O)NC(C)S(=O)(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(C=CC(=C3)Br)C=C2

InChI

InChI=1S/C20H19BrN2O6S/c1-12(20(24)22-13(2)30(25,26)27)28-16-6-8-17(9-7-16)29-19-10-4-14-3-5-15(21)11-18(14)23-19/h3-13H,1-2H3,(H,22,24)(H,25,26,27)