ethyl 7-[[5-(3-methylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate

Systemtic Name: ethyl 7-[[5-(3-methylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate Openeye Name: ethyl 7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-methylsulfonyl-amino]heptanoate CAS Name: 7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-methylsulfonylamino]heptanoate Traditional Name: 7-[[4-hydroxy-5-(3-methylphenoxy)pentyl]-mesyl-amino]enanthic acid ethyl ester Formula: C22H37NO6S MolecularWeight: 443.59728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCN(CCCC(COC1=CC=CC(=C1)C)O)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCCCCCN(CCCC(COC1=CC=CC(=C1)C)O)S(=O)(=O)C

InChI

InChI=1S/C22H37NO6S/c1-4-28-22(25)14-7-5-6-8-15-23(30(3,26)27)16-10-12-20(24)18-29-21-13-9-11-19(2)17-21/h9,11,13,17,20,24H,4-8,10,12,14-16,18H2,1-3H3