7-[[5-(4-methoxyphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[[5-(4-methoxyphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[4-hydroxy-5-(4-methoxyphenoxy)pentyl]-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[4-hydroxy-5-(4-methoxyphenoxy)pentyl]-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[4-hydroxy-5-(4-methoxyphenoxy)pentyl]-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[4-hydroxy-5-(4-methoxyphenoxy)pentyl]-mesyl-amino]enanthic acid Formula: C20H33NO7S MolecularWeight: 431.54352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CCCN(CCCCCCC(=O)O)S(=O)(=O)C)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC(CCCN(CCCCCCC(=O)O)S(=O)(=O)C)O

InChI

InChI=1S/C20H33NO7S/c1-27-18-10-12-19(13-11-18)28-16-17(22)8-7-15-21(29(2,25)26)14-6-4-3-5-9-20(23)24/h10-13,17,22H,3-9,14-16H2,1-2H3,(H,23,24)