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

Systemtic Name: methyl 7-[[4-acetyloxy-5-(3-methylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate Openeye Name: methyl 7-[[4-acetoxy-5-(3-methylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate CAS Name: 7-[[4-acetyloxy-5-(3-methylphenoxy)pentyl]-methylsulfonylamino]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[[4-acetyloxy-5-(3-methylphenoxy)pentyl]-methylsulfonylamino]hept-5-ynoate Traditional Name: 7-[[4-acetoxy-5-(3-methylphenoxy)pentyl]-mesyl-amino]hept-5-ynoic acid methyl ester Formula: C23H33NO7S MolecularWeight: 467.57562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CCCN(CC#CCCCC(=O)OC)S(=O)(=O)C)OC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CCCN(CC#CCCCC(=O)OC)S(=O)(=O)C)OC(=O)C

InChI

InChI=1S/C23H33NO7S/c1-19-11-9-12-21(17-19)30-18-22(31-20(2)25)13-10-16-24(32(4,27)28)15-8-6-5-7-14-23(26)29-3/h9,11-12,17,22H,5,7,10,13-16,18H2,1-4H3