2-[4-[[[3-(carboxymethyloxy)phenyl]methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[[[3-(carboxymethyloxy)phenyl]methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]-2-methyl-propanoic acid Openeye Name: 2-[4-[[[3-(carboxymethyloxy)phenyl]methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]-2-methyl-propanoic acid CAS Name: 2-[4-[[[3-(carboxymethyloxy)phenyl]methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]-2-methylpropanoic acid IUPAC Name: 2-[4-[[[3-(carboxymethyloxy)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]-2-methylpropanoic acid Traditional Name: 2-[4-[[[3-(carboxymethyloxy)benzyl]-(3-pyridylsulfonyl)amino]methyl]phenyl]-2-methyl-propionic acid Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O7S/c1-25(2,24(30)31)20-10-8-18(9-11-20)15-27(35(32,33)22-7-4-12-26-14-22)16-19-5-3-6-21(13-19)34-17-23(28)29/h3-14H,15-17H2,1-2H3,(H,28,29)(H,30,31)