2-(methylsulfonylamino)-2-[4-[3-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]propanoic acid

Systemtic Name: 2-(methylsulfonylamino)-2-[4-[3-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]propanoic acid Openeye Name: 2-(methanesulfonamido)-2-[4-[3-(3-pyridylcarbamoylamino)phenyl]phenyl]propanoic acid CAS Name: 2-(methanesulfonamido)-2-[4-[3-[[oxo-(3-pyridinylamino)methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 2-(methanesulfonamido)-2-[4-[3-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]propanoic acid Traditional Name: 2-(methanesulfonamido)-2-[4-[3-(3-pyridylcarbamoylamino)phenyl]phenyl]propionic acid Formula: C22H22N4O5S MolecularWeight: 454.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NC3=CN=CC=C3)(C(=O)O)NS(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NC3=CN=CC=C3)(C(=O)O)NS(=O)(=O)C

InChI

InChI=1S/C22H22N4O5S/c1-22(20(27)28,26-32(2,30)31)17-10-8-15(9-11-17)16-5-3-6-18(13-16)24-21(29)25-19-7-4-12-23-14-19/h3-14,26H,1-2H3,(H,27,28)(H2,24,25,29)