5-chloranyl-2-[4-[4-(2-methyl-6-methylsulfonyl-pyridin-3-yl)phenoxy]piperidin-1-yl]pyrimidine

Systemtic Name: 5-chloranyl-2-[4-[4-(2-methyl-6-methylsulfonyl-pyridin-3-yl)phenoxy]piperidin-1-yl]pyrimidine Openeye Name: 5-chloro-2-[4-[4-(2-methyl-6-methylsulfonyl-3-pyridyl)phenoxy]-1-piperidyl]pyrimidine CAS Name: 5-chloro-2-[4-[4-(2-methyl-6-methylsulfonyl-3-pyridinyl)phenoxy]-1-piperidinyl]pyrimidine IUPAC Name: 5-chloro-2-[4-[4-(2-methyl-6-methylsulfonylpyridin-3-yl)phenoxy]piperidin-1-yl]pyrimidine Traditional Name: 5-chloro-2-[4-[4-(6-mesyl-2-methyl-3-pyridyl)phenoxy]piperidino]pyrimidine Formula: C22H23ClN4O3S MolecularWeight: 458.96102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)S(=O)(=O)C)C2=CC=C(C=C2)OC3CCN(CC3)C4=NC=C(C=N4)Cl

Isomeric SMILES

CC1=C(C=CC(=N1)S(=O)(=O)C)C2=CC=C(C=C2)OC3CCN(CC3)C4=NC=C(C=N4)Cl

InChI

InChI=1S/C22H23ClN4O3S/c1-15-20(7-8-21(26-15)31(2,28)29)16-3-5-18(6-4-16)30-19-9-11-27(12-10-19)22-24-13-17(23)14-25-22/h3-8,13-14,19H,9-12H2,1-2H3