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Details

Stereochemistry ACHIRAL
Molecular Formula C20H20Cl2N2O4S
Molecular Weight 455.355
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[4-[3-(4,5-Dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl acetate

SMILES

CC(=O)OCCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC(Cl)=C(Cl)C=C3C

InChI

InChIKey=BPENLBNVXIQZEC-UHFFFAOYSA-N
InChI=1S/C20H20Cl2N2O4S/c1-13-11-18(21)19(22)12-17(13)20-7-8-24(23-20)15-3-5-16(6-4-15)29(26,27)10-9-28-14(2)25/h3-6,11-12H,7-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C20H20Cl2N2O4S
Molecular Weight 455.355
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:09:58 GMT 2025
Edited
by admin
on Tue Apr 01 19:09:58 GMT 2025
Record UNII
53QEE3M6K5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[4-[3-(4,5-Dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]ethyl acetate
Common Name English
2-[[4-[3-(4,5-Dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl acetate
Preferred Name English
Ethanol, 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-, 1-acetate
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
252-564-4
Created by admin on Tue Apr 01 19:09:58 GMT 2025 , Edited by admin on Tue Apr 01 19:09:58 GMT 2025
PRIMARY
PUBCHEM
3015778
Created by admin on Tue Apr 01 19:09:58 GMT 2025 , Edited by admin on Tue Apr 01 19:09:58 GMT 2025
PRIMARY
CAS
35441-14-6
Created by admin on Tue Apr 01 19:09:58 GMT 2025 , Edited by admin on Tue Apr 01 19:09:58 GMT 2025
PRIMARY
FDA UNII
53QEE3M6K5
Created by admin on Tue Apr 01 19:09:58 GMT 2025 , Edited by admin on Tue Apr 01 19:09:58 GMT 2025
PRIMARY
EPA CompTox
DTXSID10188929
Created by admin on Tue Apr 01 19:09:58 GMT 2025 , Edited by admin on Tue Apr 01 19:09:58 GMT 2025
PRIMARY