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

Systemtic Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoic acid Openeye Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxy-pentyl]-methylsulfonyl-amino]heptanoic acid CAS Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid IUPAC Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid Traditional Name: 7-[[5-[3-(dimethylamino)phenoxy]-4-hydroxy-pentyl]-mesyl-amino]enanthic acid Formula: C21H36N2O6S MolecularWeight: 444.58534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36N2O6S/c1-22(2)18-10-8-12-20(16-18)29-17-19(24)11-9-15-23(30(3,27)28)14-7-5-4-6-13-21(25)26/h8,10,12,16,19,24H,4-7,9,11,13-15,17H2,1-3H3,(H,25,26)