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

Systemtic Name: 2-[2-[4-(7-chloranylquinolin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid Openeye Name: 2-[2-[4-[(7-chloro-2-quinolyl)oxy]phenoxy]propanoylamino]ethanesulfonic acid CAS Name: 2-[[2-[4-[(7-chloro-2-quinolinyl)oxy]phenoxy]-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 2-[2-[4-(7-chloroquinolin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid Traditional Name: 2-[2-[4-[(7-chloro-2-quinolyl)oxy]phenoxy]propanoylamino]ethanesulfonic acid Formula: C20H19ClN2O6S MolecularWeight: 450.89266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCS(=O)(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(C=CC(=C3)Cl)C=C2

Isomeric SMILES

CC(C(=O)NCCS(=O)(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(C=CC(=C3)Cl)C=C2

InChI

InChI=1S/C20H19ClN2O6S/c1-13(20(24)22-10-11-30(25,26)27)28-16-5-7-17(8-6-16)29-19-9-3-14-2-4-15(21)12-18(14)23-19/h2-9,12-13H,10-11H2,1H3,(H,22,24)(H,25,26,27)