methyl 7-[[(E)-4-acetyloxy-5-(4-fluoranylphenoxy)pent-2-enyl]-methylsulfonyl-amino]hept-5-ynoate

Systemtic Name: methyl 7-[[(E)-4-acetyloxy-5-(4-fluoranylphenoxy)pent-2-enyl]-methylsulfonyl-amino]hept-5-ynoate Openeye Name: methyl 7-[[(E)-4-acetoxy-5-(4-fluorophenoxy)pent-2-enyl]-methylsulfonyl-amino]hept-5-ynoate CAS Name: 7-[[(E)-4-acetyloxy-5-(4-fluorophenoxy)pent-2-enyl]-methylsulfonylamino]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[[(E)-4-acetyloxy-5-(4-fluorophenoxy)pent-2-enyl]-methylsulfonylamino]hept-5-ynoate Traditional Name: 7-[[(E)-4-acetoxy-5-(4-fluorophenoxy)pent-2-enyl]-mesyl-amino]hept-5-ynoic acid methyl ester Formula: C22H28FNO7S MolecularWeight: 469.523623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(COC1=CC=C(C=C1)F)C=CCN(CC#CCCCC(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC(=O)OC(COC1=CC=C(C=C1)F)/C=C/CN(CC#CCCCC(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C22H28FNO7S/c1-18(25)31-21(17-30-20-13-11-19(23)12-14-20)9-8-16-24(32(3,27)28)15-7-5-4-6-10-22(26)29-2/h8-9,11-14,21H,4,6,10,15-17H2,1-3H3/b9-8+