2-[3-[3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenoxy]sulfonylphenoxy]ethanoic acid

Systemtic Name: 2-[3-[3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenoxy]sulfonylphenoxy]ethanoic acid Openeye Name: 2-[3-[3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenoxy]sulfonylphenoxy]acetic acid CAS Name: 2-[3-[3-methyl-5-[2-(4-pyridazinylamino)ethoxy]phenoxy]sulfonylphenoxy]acetic acid IUPAC Name: 2-[3-[3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenoxy]sulfonylphenoxy]acetic acid Traditional Name: 2-[3-[3-methyl-5-[2-(pyridazin-4-ylamino)ethoxy]phenoxy]sulfonylphenoxy]acetic acid Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)OCC(=O)O)OCCNC3=CN=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC(=C2)OCC(=O)O)OCCNC3=CN=NC=C3

InChI

InChI=1S/C21H21N3O7S/c1-15-9-18(29-8-7-22-16-5-6-23-24-13-16)11-19(10-15)31-32(27,28)20-4-2-3-17(12-20)30-14-21(25)26/h2-6,9-13H,7-8,14H2,1H3,(H,22,23)(H,25,26)