2-methyl-3-oxidanylidene-2-(phenylsulfonylamino)-3-[4-[3-(pyrimidin-2-ylamino)phenyl]phenyl]propanoic acid

Systemtic Name: 2-methyl-3-oxidanylidene-2-(phenylsulfonylamino)-3-[4-[3-(pyrimidin-2-ylamino)phenyl]phenyl]propanoic acid Openeye Name: 2-(benzenesulfonamido)-2-methyl-3-oxo-3-[4-[3-(pyrimidin-2-ylamino)phenyl]phenyl]propanoic acid CAS Name: 2-(benzenesulfonamido)-2-methyl-3-oxo-3-[4-[3-(2-pyrimidinylamino)phenyl]phenyl]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-2-methyl-3-oxo-3-[4-[3-(pyrimidin-2-ylamino)phenyl]phenyl]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-keto-2-methyl-3-[4-[3-(2-pyrimidylamino)phenyl]phenyl]propionic acid Formula: C26H22N4O5S MolecularWeight: 502.54168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)NC3=NC=CC=N3)(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)NC3=NC=CC=N3)(C(=O)O)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O5S/c1-26(24(32)33,30-36(34,35)22-9-3-2-4-10-22)23(31)19-13-11-18(12-14-19)20-7-5-8-21(17-20)29-25-27-15-6-16-28-25/h2-17,30H,1H3,(H,32,33)(H,27,28,29)