5-fluoranyl-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine

Systemtic Name: 5-fluoranyl-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine Openeye Name: 5-fluoro-2-[4-[(1R)-1-methyl-3-(4-methylsulfonylphenoxy)propyl]-1-piperidyl]pyrimidine CAS Name: 5-fluoro-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]-1-piperidinyl]pyrimidine IUPAC Name: 5-fluoro-2-[4-[(2R)-4-(4-methylsulfonylphenoxy)butan-2-yl]piperidin-1-yl]pyrimidine Traditional Name: 5-fluoro-2-[4-[(1R)-3-(4-mesylphenoxy)-1-methyl-propyl]piperidino]pyrimidine Formula: C20H26FN3O3S MolecularWeight: 407.502143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=C(C=C1)S(=O)(=O)C)C2CCN(CC2)C3=NC=C(C=N3)F

Isomeric SMILES

C[C@H](CCOC1=CC=C(C=C1)S(=O)(=O)C)C2CCN(CC2)C3=NC=C(C=N3)F

InChI

InChI=1S/C20H26FN3O3S/c1-15(9-12-27-18-3-5-19(6-4-18)28(2,25)26)16-7-10-24(11-8-16)20-22-13-17(21)14-23-20/h3-6,13-16H,7-12H2,1-2H3/t15-/m1/s1