(4-hydroxyphenyl) 4-[1-oxidanylidene-1-[(3-oxidanylpyridin-2-yl)amino]propan-2-yl]oxybenzenesulfinate

Systemtic Name: (4-hydroxyphenyl) 4-[1-oxidanylidene-1-[(3-oxidanylpyridin-2-yl)amino]propan-2-yl]oxybenzenesulfinate Openeye Name: (4-hydroxyphenyl) 4-[2-[(3-hydroxy-2-pyridyl)amino]-1-methyl-2-oxo-ethoxy]benzenesulfinate CAS Name: 4-[1-[(3-hydroxy-2-pyridinyl)amino]-1-oxopropan-2-yl]oxybenzenesulfinic acid (4-hydroxyphenyl) ester IUPAC Name: (4-hydroxyphenyl) 4-[1-[(3-hydroxypyridin-2-yl)amino]-1-oxopropan-2-yl]oxybenzenesulfinate Traditional Name: 4-[2-[(3-hydroxy-2-pyridyl)amino]-2-keto-1-methyl-ethoxy]benzenesulfinic acid (4-hydroxyphenyl) ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC=N1)O)OC2=CC=C(C=C2)S(=O)OC3=CC=C(C=C3)O

Isomeric SMILES

CC(C(=O)NC1=C(C=CC=N1)O)OC2=CC=C(C=C2)S(=O)OC3=CC=C(C=C3)O

InChI

InChI=1S/C20H18N2O6S/c1-13(20(25)22-19-18(24)3-2-12-21-19)27-15-8-10-17(11-9-15)29(26)28-16-6-4-14(23)5-7-16/h2-13,23-24H,1H3,(H,21,22,25)