CKV

N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide


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Chemical Component Summary

NameN-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Identifiers~{N}-[3-fluoranyl-2-[2-[(2~{S},5~{S})-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl]phenyl]-3,3-bis(4-fluorophenyl)propanamide
FormulaC34 H34 F3 N3 O3 S
Molecular Weight621.712
TypeNON-POLYMER
Isomeric SMILESC[C@H]1CN([C@H](CN1)CCc2c(cccc2F)NC(=O)CC(c3ccc(cc3)F)c4ccc(cc4)F)S(=O)(=O)c5ccccc5
InChIInChI=1S/C34H34F3N3O3S/c1-23-22-40(44(42,43)29-6-3-2-4-7-29)28(21-38-23)18-19-30-32(37)8-5-9-33(30)39-34(41)20-31(24-10-14-26(35)15-11-24)25-12-16-27(36)17-13-25/h2-17,23,28,31,38H,18-22H2,1H3,(H,39,41)/t23-,28-/m0/s1
InChIKeyWYXLVNGAPMCPRL-FIPFOOKPSA-N

Chemical Details

Formal Charge0
Atom Count78
Chiral Atom Count2
Bond Count82
Aromatic Bond Count24

Related Resource References

Resource NameReference
PubChem 121377777
ChEMBL CHEMBL4170561