sodium 2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoate

Systemtic Name: sodium 2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoate Openeye Name: sodium 2-[3-[[(4-tert-butylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetate CAS Name: sodium 2-[3-[[(4-tert-butylphenyl)methyl-(3-pyridinylsulfonyl)amino]methyl]phenoxy]acetate IUPAC Name: sodium 2-[3-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetate Traditional Name: sodium 2-[3-[[(4-tert-butylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetate Formula: C25H27N2NaO5S MolecularWeight: 490.54705

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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.[Na+]

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.[Na+]

InChI

InChI=1S/C25H28N2O5S.Na/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);/q;+1/p-1