2-[[5-(3-ethanoylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoic acid

Systemtic Name: 2-[[5-(3-ethanoylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoic acid Openeye Name: 2-[[5-(3-acetylphenoxy)-4-hydroxy-pentyl]-methylsulfonyl-amino]heptanoic acid CAS Name: 2-[[5-(3-acetylphenoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid IUPAC Name: 2-[[5-(3-acetylphenoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid Traditional Name: 2-[[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:

CCCCCC(C(=O)O)N(CCCC(COC1=CC=CC(=C1)C(=O)C)O)S(=O)(=O)C

Isomeric SMILES

CCCCCC(C(=O)O)N(CCCC(COC1=CC=CC(=C1)C(=O)C)O)S(=O)(=O)C

InChI

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