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

Systemtic Name: methyl 7-[[4-acetyloxy-5-(3-methylsulfonylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate Openeye Name: methyl 7-[[4-acetoxy-5-(3-methylsulfonylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate CAS Name: 7-[[4-acetyloxy-5-(3-methylsulfonylphenoxy)pentyl]-methylsulfonylamino]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[[4-acetyloxy-5-(3-methylsulfonylphenoxy)pentyl]-methylsulfonylamino]hept-5-ynoate Traditional Name: 7-[[4-acetoxy-5-(3-mesylphenoxy)pentyl]-mesyl-amino]hept-5-ynoic acid methyl ester Formula: C23H33NO9S2 MolecularWeight: 531.63942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO9S2/c1-19(25)33-21(18-32-20-11-9-13-22(17-20)34(3,27)28)12-10-16-24(35(4,29)30)15-8-6-5-7-14-23(26)31-2/h9,11,13,17,21H,5,7,10,12,14-16,18H2,1-4H3