2-[4-[[[4-(2-methyl-1-sulfooxy-propan-2-yl)phenyl]methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[[4-(2-methyl-1-sulfooxy-propan-2-yl)phenyl]methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[[4-(1,1-dimethyl-2-sulfooxy-ethyl)phenyl]methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid CAS Name: 2-[4-[[[4-(2-methyl-1-sulfooxypropan-2-yl)phenyl]methyl-(3-pyridinylsulfonyl)amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[[[4-(2-methyl-1-sulfooxypropan-2-yl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[4-[[[4-(1,1-dimethyl-2-sulfoxy-ethyl)benzyl]-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid Formula: C25H28N2O9S2 MolecularWeight: 564.62782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O9S2/c1-25(2,18-36-38(32,33)34)21-9-5-19(6-10-21)15-27(37(30,31)23-4-3-13-26-14-23)16-20-7-11-22(12-8-20)35-17-24(28)29/h3-14H,15-18H2,1-2H3,(H,28,29)(H,32,33,34)