N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]phenyl]methyl]-2-fluoranyl-4-methylsulfonyl-aniline

Systemtic Name: N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]phenyl]methyl]-2-fluoranyl-4-methylsulfonyl-aniline Openeye Name: N-[[4-[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]phenyl]methyl]-2-fluoro-4-methylsulfonyl-aniline CAS Name: N-[[4-[1-(5-ethyl-2-pyrimidinyl)-4-piperidinyl]phenyl]methyl]-2-fluoro-4-methylsulfonylaniline IUPAC Name: N-[[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]phenyl]methyl]-2-fluoro-4-methylsulfonylaniline Traditional Name: [4-[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]benzyl]-(2-fluoro-4-mesyl-phenyl)amine Formula: C25H29FN4O2S MolecularWeight: 468.586763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCC(CC2)C3=CC=C(C=C3)CNC4=C(C=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCC(CC2)C3=CC=C(C=C3)CNC4=C(C=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C25H29FN4O2S/c1-3-18-15-28-25(29-16-18)30-12-10-21(11-13-30)20-6-4-19(5-7-20)17-27-24-9-8-22(14-23(24)26)33(2,31)32/h4-9,14-16,21,27H,3,10-13,17H2,1-2H3