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

Systemtic Name: methyl 7-[[4-acetyloxy-5-(3-ethylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate Openeye Name: methyl 7-[[4-acetoxy-5-(3-ethylphenoxy)pentyl]-methylsulfonyl-amino]hept-5-ynoate CAS Name: 7-[[4-acetyloxy-5-(3-ethylphenoxy)pentyl]-methylsulfonylamino]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[[4-acetyloxy-5-(3-ethylphenoxy)pentyl]-methylsulfonylamino]hept-5-ynoate Traditional Name: 7-[[4-acetoxy-5-(3-ethylphenoxy)pentyl]-mesyl-amino]hept-5-ynoic acid methyl ester Formula: C24H35NO7S MolecularWeight: 481.6022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CCCN(CC#CCCCC(=O)OC)S(=O)(=O)C)OC(=O)C

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(CCCN(CC#CCCCC(=O)OC)S(=O)(=O)C)OC(=O)C

InChI

InChI=1S/C24H35NO7S/c1-5-21-12-10-13-22(18-21)31-19-23(32-20(2)26)14-11-17-25(33(4,28)29)16-9-7-6-8-15-24(27)30-3/h10,12-13,18,23H,5-6,8,11,14-17,19H2,1-4H3