methyl 6-[1-(4-ethanoyl-2-propyl-phenoxy)-3-oxidanyl-propyl]sulfonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[1-(4-ethanoyl-2-propyl-phenoxy)-3-oxidanyl-propyl]sulfonylpyridine-3-carboxylate Openeye Name: methyl 6-[1-(4-acetyl-2-propyl-phenoxy)-3-hydroxy-propyl]sulfonylpyridine-3-carboxylate CAS Name: 6-[1-(4-acetyl-2-propylphenoxy)-3-hydroxypropyl]sulfonyl-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[1-(4-acetyl-2-propylphenoxy)-3-hydroxypropyl]sulfonylpyridine-3-carboxylate Traditional Name: 6-[1-(4-acetyl-2-propyl-phenoxy)-3-hydroxy-propyl]sulfonylnicotinic acid methyl ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C(=O)C)OC(CCO)S(=O)(=O)C2=NC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1)C(=O)C)OC(CCO)S(=O)(=O)C2=NC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25NO7S/c1-4-5-16-12-15(14(2)24)6-8-18(16)29-20(10-11-23)30(26,27)19-9-7-17(13-22-19)21(25)28-3/h6-9,12-13,20,23H,4-5,10-11H2,1-3H3