methyl 7-[[4-acetyloxy-5-(3-bromanylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate

Systemtic Name: methyl 7-[[4-acetyloxy-5-(3-bromanylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate Openeye Name: methyl 7-[[4-acetoxy-5-(3-bromophenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate CAS Name: 7-[[4-acetyloxy-5-(3-bromophenoxy)pentyl]-methylsulfonylamino]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[[4-acetyloxy-5-(3-bromophenoxy)pentyl]-methylsulfonylamino]hept-5-ynoate Traditional Name: 7-[[4-acetoxy-5-(3-bromophenoxy)pentyl]-mesyl-amino]hept-5-ynoic acid methyl ester Formula: C22H30BrNO7S MolecularWeight: 532.4451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrNO7S/c1-18(25)31-21(17-30-20-11-8-10-19(23)16-20)12-9-15-24(32(3,27)28)14-7-5-4-6-13-22(26)29-2/h8,10-11,16,21H,4,6,9,12-15,17H2,1-3H3