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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC=N3)(C(=O)O)NS(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC=N3)(C(=O)O)NS(=O)(=O)C

InChI

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