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

Systemtic Name: ethyl 7-[[5-(3-bromanylphenoxy)-4-oxidanyl-pentyl]-methylsulfonyl-amino]heptanoate Openeye Name: ethyl 7-[[5-(3-bromophenoxy)-4-hydroxy-pentyl]-methylsulfonyl-amino]heptanoate CAS Name: 7-[[5-(3-bromophenoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoic acid ethyl ester IUPAC Name: ethyl 7-[[5-(3-bromophenoxy)-4-hydroxypentyl]-methylsulfonylamino]heptanoate Traditional Name: 7-[[5-(3-bromophenoxy)-4-hydroxy-pentyl]-mesyl-amino]enanthic acid ethyl ester Formula: C21H34BrNO6S MolecularWeight: 508.46676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34BrNO6S/c1-3-28-21(25)13-6-4-5-7-14-23(30(2,26)27)15-9-11-19(24)17-29-20-12-8-10-18(22)16-20/h8,10,12,16,19,24H,3-7,9,11,13-15,17H2,1-2H3