U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H11ClN2O6S
Molecular Weight 322.722
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(Aminosulfonyl)-4-chloro-2-[(ethoxycarbonyl)amino]benzoic acid

SMILES

CCOC(=O)NC1=C(C=C(C(Cl)=C1)S(N)(=O)=O)C(O)=O

InChI

InChIKey=QSKGWLGYGDCAKH-UHFFFAOYSA-N
InChI=1S/C10H11ClN2O6S/c1-2-19-10(16)13-7-4-6(11)8(20(12,17)18)3-5(7)9(14)15/h3-4H,2H2,1H3,(H,13,16)(H,14,15)(H2,12,17,18)

HIDE SMILES / InChI

Approval Year

Name Type Language
5-(Aminosulfonyl)-4-chloro-2-[(ethoxycarbonyl)amino]benzoic acid
Systematic Name English
Benzoic acid, 5-(aminosulfonyl)-4-chloro-2-[(ethoxycarbonyl)amino]-
Systematic Name English
Code System Code Type Description
FDA UNII
EF2U86GE96
Created by admin on Sat Dec 16 19:20:51 GMT 2023 , Edited by admin on Sat Dec 16 19:20:51 GMT 2023
PRIMARY
CAS
35442-36-5
Created by admin on Sat Dec 16 19:20:51 GMT 2023 , Edited by admin on Sat Dec 16 19:20:51 GMT 2023
PRIMARY
PUBCHEM
134990746
Created by admin on Sat Dec 16 19:20:51 GMT 2023 , Edited by admin on Sat Dec 16 19:20:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID301170633
Created by admin on Sat Dec 16 19:20:51 GMT 2023 , Edited by admin on Sat Dec 16 19:20:51 GMT 2023
PRIMARY