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

Systemtic Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methyl-pyridin-3-ylsulfonyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methyl-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid CAS Name: 2-[3-[[[4-(2-pyrazinyl)phenyl]methyl-(3-pyridinylsulfonyl)amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[3-[[(4-pyrazin-2-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[3-[[(4-pyrazin-2-ylbenzyl)-(3-pyridylsulfonyl)amino]methyl]phenoxy]acetic acid Formula: C25H22N4O5S MolecularWeight: 490.53098

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)C3=NC=CN=C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)CN(CC2=CC=C(C=C2)C3=NC=CN=C3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C25H22N4O5S/c30-25(31)18-34-22-4-1-3-20(13-22)17-29(35(32,33)23-5-2-10-26-14-23)16-19-6-8-21(9-7-19)24-15-27-11-12-28-24/h1-15H,16-18H2,(H,30,31)