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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H24ClF4N5O5S2
Molecular Weight 650.065
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3,5-BIS(DIFLUOROMETHYL)-1H-PYRAZOL-1-YL)-1-(4-(4-((5S)-5-(2-CHLORO-6-((METHYLSULFONYL)OXY)PHENYL)-4,5-DIHYDRO-3-ISOXAZOLYL)-2-THIAZOLYL)-1-PIPERIDINYL)ETHANONE

SMILES

[H][C@]1(CC(=NO1)C2=CSC(=N2)C3CCN(CC3)C(=O)CN4N=C(C=C4C(F)F)C(F)F)C5=C(OS(C)(=O)=O)C=CC=C5Cl

InChI

InChIKey=ZEXXEODAXHSRDJ-FQEVSTJZSA-N
InChI=1S/C25H24ClF4N5O5S2/c1-42(37,38)40-19-4-2-3-14(26)22(19)20-10-15(33-39-20)17-12-41-25(31-17)13-5-7-34(8-6-13)21(36)11-35-18(24(29)30)9-16(32-35)23(27)28/h2-4,9,12-13,20,23-24H,5-8,10-11H2,1H3/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H24ClF4N5O5S2
Molecular Weight 650.065
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:21:09 GMT 2023
Edited
by admin
on Sat Dec 16 18:21:09 GMT 2023
Record UNII
KA7FNP7ZJH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3,5-BIS(DIFLUOROMETHYL)-1H-PYRAZOL-1-YL)-1-(4-(4-((5S)-5-(2-CHLORO-6-((METHYLSULFONYL)OXY)PHENYL)-4,5-DIHYDRO-3-ISOXAZOLYL)-2-THIAZOLYL)-1-PIPERIDINYL)ETHANONE
Systematic Name English
ETHANONE, 2-(3,5-BIS(DIFLUOROMETHYL)-1H-PYRAZOL-1-YL)-1-(4-(4-((5S)-5-(2-CHLORO-6-((METHYLSULFONYL)OXY)PHENYL)-4,5-DIHYDRO-3-ISOXAZOLYL)-2-THIAZOLYL)-1-PIPERIDINYL)-
Systematic Name English
2-((5S)-3-(2-(1-((3,5-BIS(DIFLUOROMETHYL)-1H-PYRAZOL-1-YL)ACETYL)PIPERIDIN-4-YL)-1,3-THIAZOL-4-YL)-4,5-DIHYDRO-1,2-OXAZOL-5-YL)-3-CHLOROPHENYL METHANESULFONATE
Systematic Name English
Code System Code Type Description
PUBCHEM
118025122
Created by admin on Sat Dec 16 18:21:09 GMT 2023 , Edited by admin on Sat Dec 16 18:21:09 GMT 2023
PRIMARY
FDA UNII
KA7FNP7ZJH
Created by admin on Sat Dec 16 18:21:09 GMT 2023 , Edited by admin on Sat Dec 16 18:21:09 GMT 2023
PRIMARY
CAS
1703753-80-3
Created by admin on Sat Dec 16 18:21:09 GMT 2023 , Edited by admin on Sat Dec 16 18:21:09 GMT 2023
PRIMARY