methyl 7-[[4-acetyloxy-5-(4-fluoranylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate

Systemtic Name: methyl 7-[[4-acetyloxy-5-(4-fluoranylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate Openeye Name: methyl 7-[[4-acetoxy-5-(4-fluorophenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate CAS Name: 7-[[4-acetyloxy-5-(4-fluorophenoxy)pentyl]-methylsulfonylamino]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[[4-acetyloxy-5-(4-fluorophenoxy)pentyl]-methylsulfonylamino]hept-5-ynoate Traditional Name: 7-[[4-acetoxy-5-(4-fluorophenoxy)pentyl]-mesyl-amino]hept-5-ynoic acid methyl ester Formula: C22H30FNO7S MolecularWeight: 471.539503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30FNO7S/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/h11-14,21H,4,6,8-10,15-17H2,1-3H3