Chemical Component Summary

NameN-[(1S)-1-(4-benzyl-1H-imidazol-2-yl)-2-{4-[(5S)-1,1-dioxido-3-oxoisothiazolidin-5-yl]phenyl}ethyl]-3-(trifluoromethyl)benzenesulfonamide
IdentifiersN-[(1S)-1-[4-(phenylmethyl)-1H-imidazol-2-yl]-2-[4-[(5S)-1,1,3-trioxo-1,2-thiazolidin-5-yl]phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
FormulaC28 H25 F3 N4 O5 S2
Molecular Weight618.647
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)Cc2c[nH]c(n2)[C@H](Cc3ccc(cc3)[C@@H]4CC(=O)NS4(=O)=O)NS(=O)(=O)c5cccc(c5)C(F)(F)F
InChIInChI=1S/C28H25F3N4O5S2/c29-28(30,31)21-7-4-8-23(15-21)41(37,38)34-24(27-32-17-22(33-27)13-18-5-2-1-3-6-18)14-19-9-11-20(12-10-19)25-16-26(36)35-42(25,39)40/h1-12,15,17,24-25,34H,13-14,16H2,(H,32,33)(H,35,36)/t24-,25-/m0/s1
InChIKeyUMIIBUJRMKQTQV-DQEYMECFSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count2
Bond Count71
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 17749737