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

Systemtic Name: 2-(methylsulfonylamino)-3-[4-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Openeye Name: 2-(methanesulfonamido)-3-[4-[3-(2-pyridylmethylcarbamoylamino)phenyl]phenyl]propanoic acid CAS Name: 2-(methanesulfonamido)-3-[4-[3-[[oxo-(2-pyridinylmethylamino)methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 2-(methanesulfonamido)-3-[4-[3-(pyridin-2-ylmethylcarbamoylamino)phenyl]phenyl]propanoic acid Traditional Name: 2-(methanesulfonamido)-3-[4-[3-(2-pyridylmethylcarbamoylamino)phenyl]phenyl]propionic acid Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=N3)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NCC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C23H24N4O5S/c1-33(31,32)27-21(22(28)29)13-16-8-10-17(11-9-16)18-5-4-7-19(14-18)26-23(30)25-15-20-6-2-3-12-24-20/h2-12,14,21,27H,13,15H2,1H3,(H,28,29)(H2,25,26,30)