[2-[2-(7-bromanylquinolin-2-yl)oxyphenoxy]propanoylamino] ethanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)ONC(=O)C(C)OC1=CC=CC=C1OC2=NC3=C(C=CC(=C3)Br)C=C2

Isomeric SMILES

CCS(=O)(=O)ONC(=O)C(C)OC1=CC=CC=C1OC2=NC3=C(C=CC(=C3)Br)C=C2

InChI

InChI=1S/C20H19BrN2O6S/c1-3-30(25,26)29-23-20(24)13(2)27-17-6-4-5-7-18(17)28-19-11-9-14-8-10-15(21)12-16(14)22-19/h4-13H,3H2,1-2H3,(H,23,24)