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

Systemtic Name: ethyl 7-[[5-(3-ethylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate Openeye Name: ethyl 7-[[5-(3-ethylphenoxy)-4-hydroxy-pentyl]-methylsulfonyl-amino]heptanoate CAS Name: 7-[[5-(3-ethylphenoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[5-(3-ethylphenoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoate Traditional Name: 7-[[5-(3-ethylphenoxy)-4-hydroxy-pentyl]-mesyl-amino]enanthic acid ethyl ester Formula: C23H39NO6S MolecularWeight: 457.62386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CCCN(CCCCCCC(=O)OCC)S(=O)(=O)C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(CCCN(CCCCCCC(=O)OCC)S(=O)(=O)C)O

InChI

InChI=1S/C23H39NO6S/c1-4-20-12-10-14-22(18-20)30-19-21(25)13-11-17-24(31(3,27)28)16-9-7-6-8-15-23(26)29-5-2/h10,12,14,18,21,25H,4-9,11,13,15-17,19H2,1-3H3