2-[3-[[2-(3-chloranylphenoxy)ethyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[2-(3-chloranylphenoxy)ethyl-pyridin-3-ylsulfonyl-amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[2-(3-chlorophenoxy)ethyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[2-(3-chlorophenoxy)ethyl-(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[2-(3-chlorophenoxy)ethyl-pyridin-3-ylsulfonylamino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[2-(3-chlorophenoxy)ethyl-(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C22H21ClN2O5S MolecularWeight: 460.93054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN(CCOC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CN=CC=C3)CC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN(CCOC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CN=CC=C3)CC(=O)O

InChI

InChI=1S/C22H21ClN2O5S/c23-19-6-2-7-20(14-19)30-11-10-25(31(28,29)21-8-3-9-24-15-21)16-18-5-1-4-17(12-18)13-22(26)27/h1-9,12,14-15H,10-11,13,16H2,(H,26,27)