7-[[5-(4-fluoranylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-ynoic acid

Systemtic Name: 7-[[5-(4-fluoranylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]hept-5-ynoic acid Openeye Name: 7-[[5-(4-fluorophenoxy)-4-hydroxy-pentyl]-methylsulfonyl-amino]hept-5-ynoic acid CAS Name: 7-[[5-(4-fluorophenoxy)-4-hydroxypentyl]-methylsulfonylamino]-5-heptynoic acid IUPAC Name: 7-[[5-(4-fluorophenoxy)-4-hydroxypentyl]-methylsulfonylamino]hept-5-ynoic acid Traditional Name: 7-[[5-(4-fluorophenoxy)-4-hydroxy-pentyl]-mesyl-amino]hept-5-ynoic acid Formula: C19H26FNO6S MolecularWeight: 415.476243

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCC(COC1=CC=C(C=C1)F)O)CC#CCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)N(CCCC(COC1=CC=C(C=C1)F)O)CC#CCCCC(=O)O

InChI

InChI=1S/C19H26FNO6S/c1-28(25,26)21(13-5-3-2-4-8-19(23)24)14-6-7-17(22)15-27-18-11-9-16(20)10-12-18/h9-12,17,22H,2,4,6-8,13-15H2,1H3,(H,23,24)