3-[3-(2-oxidanyl-1-pyridin-3-yl-ethyl)-5-[1-(phenylsulfonylamino)ethyl]phenyl]propanoic acid

Systemtic Name: 3-[3-(2-oxidanyl-1-pyridin-3-yl-ethyl)-5-[1-(phenylsulfonylamino)ethyl]phenyl]propanoic acid Openeye Name: 3-[3-[1-(benzenesulfonamido)ethyl]-5-[2-hydroxy-1-(3-pyridyl)ethyl]phenyl]propanoic acid CAS Name: 3-[3-[1-(benzenesulfonamido)ethyl]-5-[2-hydroxy-1-(3-pyridinyl)ethyl]phenyl]propanoic acid IUPAC Name: 3-[3-[1-(benzenesulfonamido)ethyl]-5-(2-hydroxy-1-pyridin-3-ylethyl)phenyl]propanoic acid Traditional Name: 3-[3-[1-(benzenesulfonamido)ethyl]-5-[2-hydroxy-1-(3-pyridyl)ethyl]phenyl]propionic acid Formula: C24H26N2O5S MolecularWeight: 454.53864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(CO)C2=CN=CC=C2)CCC(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC(=CC(=C1)C(CO)C2=CN=CC=C2)CCC(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5S/c1-17(26-32(30,31)22-7-3-2-4-8-22)20-12-18(9-10-24(28)29)13-21(14-20)23(16-27)19-6-5-11-25-15-19/h2-8,11-15,17,23,26-27H,9-10,16H2,1H3,(H,28,29)