2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(4-tert-butylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[(4-tert-butylphenyl)methyl-(3-pyridinylsulfonyl)amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[(4-tert-butylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid Formula: C25H28N2O5S MolecularWeight: 468.56522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)