4-(4-chlorophenyl)-5-methylsulfonyl-2-[4-(oxan-2-ylmethoxy)phenyl]pyrimidine

Systemtic Name: 4-(4-chlorophenyl)-5-methylsulfonyl-2-[4-(oxan-2-ylmethoxy)phenyl]pyrimidine Openeye Name: 4-(4-chlorophenyl)-5-methylsulfonyl-2-[4-(tetrahydropyran-2-ylmethoxy)phenyl]pyrimidine CAS Name: 4-(4-chlorophenyl)-5-methylsulfonyl-2-[4-(2-oxanylmethoxy)phenyl]pyrimidine IUPAC Name: 4-(4-chlorophenyl)-5-methylsulfonyl-2-[4-(oxan-2-ylmethoxy)phenyl]pyrimidine Traditional Name: 4-(4-chlorophenyl)-5-mesyl-2-[4-(tetrahydropyran-2-ylmethoxy)phenyl]pyrimidine Formula: C23H23ClN2O4S MolecularWeight: 458.95772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OCC4CCCCO4

Isomeric SMILES

CS(=O)(=O)C1=CN=C(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OCC4CCCCO4

InChI

InChI=1S/C23H23ClN2O4S/c1-31(27,28)21-14-25-23(26-22(21)16-5-9-18(24)10-6-16)17-7-11-19(12-8-17)30-15-20-4-2-3-13-29-20/h5-12,14,20H,2-4,13,15H2,1H3