5-[[4-[4-(methylsulfonylamino)phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzoic acid

Systemtic Name: 5-[[4-[4-(methylsulfonylamino)phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzoic acid Openeye Name: 5-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]-2-morpholino-benzoic acid CAS Name: 5-[[4-[4-(methanesulfonamido)phenyl]-2-pyrimidinyl]amino]-2-(4-morpholinyl)benzoic acid IUPAC Name: 5-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-ylbenzoic acid Traditional Name: 5-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]-2-morpholino-benzoic acid Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC(=C(C=C3)N4CCOCC4)C(=O)O

InChI

InChI=1S/C22H23N5O5S/c1-33(30,31)26-16-4-2-15(3-5-16)19-8-9-23-22(25-19)24-17-6-7-20(18(14-17)21(28)29)27-10-12-32-13-11-27/h2-9,14,26H,10-13H2,1H3,(H,28,29)(H,23,24,25)