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

Systemtic Name: 2-[4-[[(4-butylphenyl)methyl-methylsulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[(4-butylphenyl)methyl-methylsulfonyl-amino]methyl]phenoxy]acetic acid CAS Name: 2-[4-[[(4-butylphenyl)methyl-methylsulfonylamino]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[[(4-butylphenyl)methyl-methylsulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[4-[[(4-butylbenzyl)-mesyl-amino]methyl]phenoxy]acetic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OCC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OCC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C21H27NO5S/c1-3-4-5-17-6-8-18(9-7-17)14-22(28(2,25)26)15-19-10-12-20(13-11-19)27-16-21(23)24/h6-13H,3-5,14-16H2,1-2H3,(H,23,24)