7-[[5-(3-ethanoylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 7-[[5-(3-ethanoylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[5-(3-acetylphenoxy)-4-hydroxy-pentyl]-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[5-(3-acetylphenoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[5-(3-acetylphenoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[5-(3-acetylphenoxy)-4-hydroxy-pentyl]-mesyl-amino]enanthic acid Formula: C21H33NO7S MolecularWeight: 443.55422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO7S/c1-17(23)18-9-7-11-20(15-18)29-16-19(24)10-8-14-22(30(2,27)28)13-6-4-3-5-12-21(25)26/h7,9,11,15,19,24H,3-6,8,10,12-14,16H2,1-2H3,(H,25,26)