7-[[(E)-5-(4-fluoranylphenoxy)-4-oxidanyl-pent-2-enyl]-methylsulfonyl-amino]hept-5-ynoic acid

Systemtic Name: 7-[[(E)-5-(4-fluoranylphenoxy)-4-oxidanyl-pent-2-enyl]-methylsulfonyl-amino]hept-5-ynoic acid Openeye Name: 7-[[(E)-5-(4-fluorophenoxy)-4-hydroxy-pent-2-enyl]-methylsulfonyl-amino]hept-5-ynoic acid CAS Name: 7-[[(E)-5-(4-fluorophenoxy)-4-hydroxypent-2-enyl]-methylsulfonylamino]-5-heptynoic acid IUPAC Name: 7-[[(E)-5-(4-fluorophenoxy)-4-hydroxypent-2-enyl]-methylsulfonylamino]hept-5-ynoic acid Traditional Name: 7-[[(E)-5-(4-fluorophenoxy)-4-hydroxy-pent-2-enyl]-mesyl-amino]hept-5-ynoic acid Formula: C19H24FNO6S MolecularWeight: 413.460363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24FNO6S/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/h6-7,9-12,17,22H,2,4,8,13-15H2,1H3,(H,23,24)/b7-6+