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Details

Stereochemistry ACHIRAL
Molecular Formula C14H12ClNO5S.C5H5N
Molecular Weight 420.867
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PYRIDINE 3-(PHENOXYCARBONYLAMINO)-5-CHLORO-4-METHYLBENZENESULFONATE

SMILES

C1=CC=NC=C1.CC2=C(NC(=O)OC3=CC=CC=C3)C=C(C=C2Cl)S(O)(=O)=O

InChI

InChIKey=XKZDFXKZEAVVKX-UHFFFAOYSA-N
InChI=1S/C14H12ClNO5S.C5H5N/c1-9-12(15)7-11(22(18,19)20)8-13(9)16-14(17)21-10-5-3-2-4-6-10;1-2-4-6-5-3-1/h2-8H,1H3,(H,16,17)(H,18,19,20);1-5H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-(PHENOXYCARBONYLAMINO)-5-CHLORO-4-METHYLBENZENESULFONIC ACID PYRIDINE SALT
Preferred Name English
PYRIDINE 3-(PHENOXYCARBONYLAMINO)-5-CHLORO-4-METHYLBENZENESULFONATE
Common Name English
Code System Code Type Description
FDA UNII
ZSX242ZE2B
Created by admin on Wed Apr 02 11:07:23 GMT 2025 , Edited by admin on Wed Apr 02 11:07:23 GMT 2025
PRIMARY
CAS
2052969-22-7
Created by admin on Wed Apr 02 11:07:23 GMT 2025 , Edited by admin on Wed Apr 02 11:07:23 GMT 2025
PRIMARY
PUBCHEM
163203516
Created by admin on Wed Apr 02 11:07:23 GMT 2025 , Edited by admin on Wed Apr 02 11:07:23 GMT 2025
PRIMARY
NIH
NCATS
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