2-[4-[2-chloranyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]-5-ethyl-pyrimidine

Systemtic Name: 2-[4-[2-chloranyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]-5-ethyl-pyrimidine Openeye Name: 2-[4-[2-chloro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-1-piperidyl]-5-ethyl-pyrimidine CAS Name: 2-[4-[2-chloro-4-[(4-methylsulfonyl-1-piperazinyl)methyl]phenoxy]-1-piperidinyl]-5-ethylpyrimidine IUPAC Name: 2-[4-[2-chloro-4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]piperidin-1-yl]-5-ethylpyrimidine Traditional Name: 2-[4-[2-chloro-4-[(4-mesylpiperazino)methyl]phenoxy]piperidino]-5-ethyl-pyrimidine Formula: C23H32ClN5O3S MolecularWeight: 494.04988

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)S(=O)(=O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H32ClN5O3S/c1-3-18-15-25-23(26-16-18)28-8-6-20(7-9-28)32-22-5-4-19(14-21(22)24)17-27-10-12-29(13-11-27)33(2,30)31/h4-5,14-16,20H,3,6-13,17H2,1-2H3