2-[4-[[4-acetyloxynonyl(methylsulfonyl)amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[4-acetyloxynonyl(methylsulfonyl)amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[4-acetoxynonyl(methylsulfonyl)amino]methyl]phenoxy]acetic acid CAS Name: 2-[4-[[4-acetyloxynonyl(methylsulfonyl)amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[[4-acetyloxynonyl(methylsulfonyl)amino]methyl]phenoxy]acetic acid Traditional Name: 2-[4-[[4-acetoxynonyl(mesyl)amino]methyl]phenoxy]acetic acid Formula: C21H33NO7S MolecularWeight: 443.55422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO7S/c1-4-5-6-8-20(29-17(2)23)9-7-14-22(30(3,26)27)15-18-10-12-19(13-11-18)28-16-21(24)25/h10-13,20H,4-9,14-16H2,1-3H3,(H,24,25)