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

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

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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)NC3=CC=CC=N3)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC=N3)C(=O)O

InChI

InChI=1S/C22H22N4O5S/c1-32(30,31)26-19(21(27)28)13-15-8-10-16(11-9-15)17-5-4-6-18(14-17)24-22(29)25-20-7-2-3-12-23-20/h2-12,14,19,26H,13H2,1H3,(H,27,28)(H2,23,24,25,29)