7-[[(E)-1-(4-fluoranylphenoxy)pent-2-enyl]-methylsulfonyl-amino]hept-5-ynoic acid

Systemtic Name: 7-[[(E)-1-(4-fluoranylphenoxy)pent-2-enyl]-methylsulfonyl-amino]hept-5-ynoic acid Openeye Name: 7-[[(E)-1-(4-fluorophenoxy)pent-2-enyl]-methylsulfonyl-amino]hept-5-ynoic acid CAS Name: 7-[[(E)-1-(4-fluorophenoxy)pent-2-enyl]-methylsulfonylamino]-5-heptynoic acid IUPAC Name: 7-[[(E)-1-(4-fluorophenoxy)pent-2-enyl]-methylsulfonylamino]hept-5-ynoic acid Traditional Name: 7-[[(E)-1-(4-fluorophenoxy)pent-2-enyl]-mesyl-amino]hept-5-ynoic acid Formula: C19H24FNO5S MolecularWeight: 397.460963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(N(CC#CCCCC(=O)O)S(=O)(=O)C)OC1=CC=C(C=C1)F

Isomeric SMILES

CC/C=C/C(N(CC#CCCCC(=O)O)S(=O)(=O)C)OC1=CC=C(C=C1)F

InChI

InChI=1S/C19H24FNO5S/c1-3-4-9-18(26-17-13-11-16(20)12-14-17)21(27(2,24)25)15-8-6-5-7-10-19(22)23/h4,9,11-14,18H,3,5,7,10,15H2,1-2H3,(H,22,23)/b9-4+