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

Systemtic Name: 1-[2-[2-(7-chloranylquinoxalin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid Openeye Name: 1-[2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid CAS Name: 1-[[2-[2-[(7-chloro-2-quinoxalinyl)oxy]phenoxy]-1-oxopropyl]amino]ethanesulfonic acid IUPAC Name: 1-[2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid Traditional Name: 1-[2-[2-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]ethanesulfonic acid Formula: C19H18ClN3O6S MolecularWeight: 451.88072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)S(=O)(=O)O)OC1=CC=CC=C1OC2=CN=C3C=CC(=CC3=N2)Cl

Isomeric SMILES

CC(C(=O)NC(C)S(=O)(=O)O)OC1=CC=CC=C1OC2=CN=C3C=CC(=CC3=N2)Cl

InChI

InChI=1S/C19H18ClN3O6S/c1-11(19(24)22-12(2)30(25,26)27)28-16-5-3-4-6-17(16)29-18-10-21-14-8-7-13(20)9-15(14)23-18/h3-12H,1-2H3,(H,22,24)(H,25,26,27)