5-ethyl-2-[2-[3-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrrolidin-3-yl]oxyphenyl]ethoxy]pyrimidine

Systemtic Name: 5-ethyl-2-[2-[3-[1-(2-fluoranyl-4-methylsulfonyl-phenyl)pyrrolidin-3-yl]oxyphenyl]ethoxy]pyrimidine Openeye Name: 5-ethyl-2-[2-[3-[1-(2-fluoro-4-methylsulfonyl-phenyl)pyrrolidin-3-yl]oxyphenyl]ethoxy]pyrimidine CAS Name: 5-ethyl-2-[2-[3-[[1-(2-fluoro-4-methylsulfonylphenyl)-3-pyrrolidinyl]oxy]phenyl]ethoxy]pyrimidine IUPAC Name: 5-ethyl-2-[2-[3-[1-(2-fluoro-4-methylsulfonylphenyl)pyrrolidin-3-yl]oxyphenyl]ethoxy]pyrimidine Traditional Name: 5-ethyl-2-[2-[3-[1-(2-fluoro-4-mesyl-phenyl)pyrrolidin-3-yl]oxyphenyl]ethoxy]pyrimidine Formula: C25H28FN3O4S MolecularWeight: 485.570923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)OCCC2=CC(=CC=C2)OC3CCN(C3)C4=C(C=C(C=C4)S(=O)(=O)C)F

Isomeric SMILES

CCC1=CN=C(N=C1)OCCC2=CC(=CC=C2)OC3CCN(C3)C4=C(C=C(C=C4)S(=O)(=O)C)F

InChI

InChI=1S/C25H28FN3O4S/c1-3-18-15-27-25(28-16-18)32-12-10-19-5-4-6-20(13-19)33-21-9-11-29(17-21)24-8-7-22(14-23(24)26)34(2,30)31/h4-8,13-16,21H,3,9-12,17H2,1-2H3