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

Systemtic Name: 2-(methylsulfonylamino)-3-[4-[3-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]propanoic acid Openeye Name: 2-(methanesulfonamido)-3-[4-[3-(3-pyridylcarbamoylamino)phenyl]phenyl]propanoic acid CAS Name: 2-(methanesulfonamido)-3-[4-[3-[[oxo-(3-pyridinylamino)methyl]amino]phenyl]phenyl]propanoic acid IUPAC Name: 2-(methanesulfonamido)-3-[4-[3-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]propanoic acid Traditional Name: 2-(methanesulfonamido)-3-[4-[3-(3-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=CN=CC=C3)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC(CC1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)NC3=CN=CC=C3)C(=O)O

InChI

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