2-[3-[[(3-oxidanyl-4-propoxy-phenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[(3-oxidanyl-4-propoxy-phenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[(3-hydroxy-4-propoxy-phenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[(3-hydroxy-4-propoxyphenyl)methyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[(3-hydroxy-4-propoxyphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[(3-hydroxy-4-propoxy-benzyl)-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CN=CC=C3)O

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CN(CC2=CC=CC(=C2)CC(=O)O)S(=O)(=O)C3=CN=CC=C3)O

InChI

InChI=1S/C24H26N2O6S/c1-2-11-32-23-9-8-20(13-22(23)27)17-26(33(30,31)21-7-4-10-25-15-21)16-19-6-3-5-18(12-19)14-24(28)29/h3-10,12-13,15,27H,2,11,14,16-17H2,1H3,(H,28,29)