methyl 7-[[4-acetyloxy-5-(2-chloranylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate

Systemtic Name: methyl 7-[[4-acetyloxy-5-(2-chloranylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate Openeye Name: methyl 7-[[4-acetoxy-5-(2-chlorophenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate CAS Name: 7-[[4-acetyloxy-5-(2-chlorophenoxy)pentyl]-methylsulfonylamino]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[[4-acetyloxy-5-(2-chlorophenoxy)pentyl]-methylsulfonylamino]hept-5-ynoate Traditional Name: 7-[[4-acetoxy-5-(2-chlorophenoxy)pentyl]-mesyl-amino]hept-5-ynoic acid methyl ester Formula: C22H30ClNO7S MolecularWeight: 487.9941

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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=C1Cl

Isomeric SMILES

CC(=O)OC(CCCN(CC#CCCCC(=O)OC)S(=O)(=O)C)COC1=CC=CC=C1Cl

InChI

InChI=1S/C22H30ClNO7S/c1-18(25)31-19(17-30-21-13-8-7-12-20(21)23)11-10-16-24(32(3,27)28)15-9-5-4-6-14-22(26)29-2/h7-8,12-13,19H,4,6,10-11,14-17H2,1-3H3