2-[3-[[(4-butoxyphenyl)methyl-methylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(4-butoxyphenyl)methyl-methylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(4-butoxyphenyl)methyl-methylsulfonyl-amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(4-butoxyphenyl)methyl-methylsulfonylamino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(4-butoxyphenyl)methyl-methylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(4-butoxybenzyl)-mesyl-amino]methyl]phenyl]acetic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C21H27NO5S/c1-3-4-12-27-20-10-8-17(9-11-20)15-22(28(2,25)26)16-19-7-5-6-18(13-19)14-21(23)24/h5-11,13H,3-4,12,14-16H2,1-2H3,(H,23,24)