2-[3-[[(4-tert-butylphenyl)methyl-(1-oxidanidylpyridin-1-ium-3-yl)sulfonyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(4-tert-butylphenyl)methyl-(1-oxidanidylpyridin-1-ium-3-yl)sulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(4-tert-butylphenyl)methyl-(1-oxidopyridin-1-ium-3-yl)sulfonyl-amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[(4-tert-butylphenyl)methyl-[(1-oxido-3-pyridin-1-iumyl)sulfonyl]amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-tert-butylphenyl)methyl-(1-oxidopyridin-1-ium-3-yl)sulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[(4-tert-butylbenzyl)-(1-oxidopyridin-1-ium-3-yl)sulfonyl-amino]methyl]phenoxy]acetic acid Formula: C25H28N2O6S MolecularWeight: 484.56462

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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=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CC(=CC=C2)OCC(=O)O)S(=O)(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C25H28N2O6S/c1-25(2,3)21-11-9-19(10-12-21)15-27(34(31,32)23-8-5-13-26(30)17-23)16-20-6-4-7-22(14-20)33-18-24(28)29/h4-14,17H,15-16,18H2,1-3H3,(H,28,29)