2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[[4-(1-pyrazolyl)phenyl]methyl-(3-pyridinylsulfonyl)amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[(4-pyrazol-1-ylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid Formula: C24H22N4O5S MolecularWeight: 478.52028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)O)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H22N4O5S/c29-24(30)18-33-22-5-1-4-20(14-22)17-27(34(31,32)23-6-2-11-25-15-23)16-19-7-9-21(10-8-19)28-13-3-12-26-28/h1-15H,16-18H2,(H,29,30)