5-chloranyl-2-methylsulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-methylsulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfonyl-N-(4-morpholinosulfonylphenyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-methylsulfonyl-N-[4-(4-morpholinylsulfonyl)phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-methylsulfonyl-N-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-mesyl-N-(4-morpholinosulfonylphenyl)pyrimidine-4-carboxamide Formula: C16H17ClN4O6S2 MolecularWeight: 460.91238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C16H17ClN4O6S2/c1-28(23,24)16-18-10-13(17)14(20-16)15(22)19-11-2-4-12(5-3-11)29(25,26)21-6-8-27-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,22)