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 3-(Aminosulfonyl)-2-chloro-6-[(ethoxycarbonyl)amino]benzoic acid

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C10H11ClN2O6S
Molecular Weight 322.722
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 Sat Dec 16 19:20:51 GMT 2023
Edited
by admin
on Sat Dec 16 19:20:51 GMT 2023
Record UNII
YR6U269SCA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(Aminosulfonyl)-2-chloro-6-[(ethoxycarbonyl)amino]benzoic acid
Systematic Name English
2-chloro-6-[(ethoxycarbonyl)amino]-3-sulfamoylbenzoic acid
Systematic Name English
Benzoic acid, 3-(aminosulfonyl)-2-chloro-6-[(ethoxycarbonyl)amino]-
Systematic Name English
Code System Code Type Description
PUBCHEM
12533521
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
72290-19-8
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
FDA UNII
YR6U269SCA
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