2-[3-[[(4-pyrazol-1-ylphenyl)methyl-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-[[5-(2-pyridyl)-2-thienyl]sulfonyl]amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[[4-(1-pyrazolyl)phenyl]methyl-[[5-(2-pyridinyl)-2-thiophenyl]sulfonyl]amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[(4-pyrazol-1-ylbenzyl)-[[5-(2-pyridyl)-2-thienyl]sulfonyl]amino]methyl]phenoxy]acetic acid Formula: C28H24N4O5S2 MolecularWeight: 560.64396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)N(CC3=CC=C(C=C3)N4C=CC=N4)CC5=CC(=CC=C5)OCC(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)N(CC3=CC=C(C=C3)N4C=CC=N4)CC5=CC(=CC=C5)OCC(=O)O

InChI

InChI=1S/C28H24N4O5S2/c33-27(34)20-37-24-6-3-5-22(17-24)19-31(18-21-8-10-23(11-9-21)32-16-4-15-30-32)39(35,36)28-13-12-26(38-28)25-7-1-2-14-29-25/h1-17H,18-20H2,(H,33,34)