propyl 5-[[4-[4-(methylsulfonylamino)phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[[4-[4-(methylsulfonylamino)phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]-2-morpholino-benzoate CAS Name: 5-[[4-[4-(methanesulfonamido)phenyl]-2-pyrimidinyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[[4-[4-(methanesulfonamido)phenyl]pyrimidin-2-yl]amino]-2-morpholino-benzoic acid propyl ester Formula: C25H29N5O5S MolecularWeight: 511.59326

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C)N4CCOCC4

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC=C(C=C3)NS(=O)(=O)C)N4CCOCC4

InChI

InChI=1S/C25H29N5O5S/c1-3-14-35-24(31)21-17-20(8-9-23(21)30-12-15-34-16-13-30)27-25-26-11-10-22(28-25)18-4-6-19(7-5-18)29-36(2,32)33/h4-11,17,29H,3,12-16H2,1-2H3,(H,26,27,28)