1-[[3-chloranyl-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-phenyl]methyl]-4-methylsulfonyl-piperazin-2-one

Systemtic Name: 1-[[3-chloranyl-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-phenyl]methyl]-4-methylsulfonyl-piperazin-2-one Openeye Name: 1-[[3-chloro-4-[[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]oxy]phenyl]methyl]-4-methylsulfonyl-piperazin-2-one CAS Name: 1-[[3-chloro-4-[[1-(5-ethyl-2-pyrimidinyl)-4-piperidinyl]oxy]phenyl]methyl]-4-methylsulfonyl-2-piperazinone IUPAC Name: 1-[[3-chloro-4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxyphenyl]methyl]-4-methylsulfonylpiperazin-2-one Traditional Name: 1-[3-chloro-4-[[1-(5-ethylpyrimidin-2-yl)-4-piperidyl]oxy]benzyl]-4-mesyl-piperazin-2-one Formula: C23H30ClN5O4S MolecularWeight: 508.0334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCC(CC2)OC3=C(C=C(C=C3)CN4CCN(CC4=O)S(=O)(=O)C)Cl

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCC(CC2)OC3=C(C=C(C=C3)CN4CCN(CC4=O)S(=O)(=O)C)Cl

InChI

InChI=1S/C23H30ClN5O4S/c1-3-17-13-25-23(26-14-17)27-8-6-19(7-9-27)33-21-5-4-18(12-20(21)24)15-28-10-11-29(16-22(28)30)34(2,31)32/h4-5,12-14,19H,3,6-11,15-16H2,1-2H3