(2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl) 5-chloranyl-2-methylsulfonyl-pyrimidine-4-carboxylate Openeye Name: (2-morpholino-2-oxo-1-phenyl-ethyl) 5-chloro-2-methylsulfonyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-methylsulfonyl-4-pyrimidinecarboxylic acid [2-(4-morpholinyl)-2-oxo-1-phenylethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxo-1-phenylethyl) 5-chloro-2-methylsulfonylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-mesyl-pyrimidine-4-carboxylic acid (2-keto-2-morpholino-1-phenyl-ethyl) ester Formula: C18H18ClN3O6S MolecularWeight: 439.87002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCOCC3)Cl

InChI

InChI=1S/C18H18ClN3O6S/c1-29(25,26)18-20-11-13(19)14(21-18)17(24)28-15(12-5-3-2-4-6-12)16(23)22-7-9-27-10-8-22/h2-6,11,15H,7-10H2,1H3