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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H18ClN5O6S
Molecular Weight 443.862
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Methylethyl 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate

SMILES

COC1=NC(C)=NC(NC(=O)NS(=O)(=O)C2=CC(Cl)=CC=C2C(=O)OC(C)C)=N1

InChI

InChIKey=NDIMSSNVYYPECZ-UHFFFAOYSA-N
InChI=1S/C16H18ClN5O6S/c1-8(2)28-13(23)11-6-5-10(17)7-12(11)29(25,26)22-15(24)20-14-18-9(3)19-16(21-14)27-4/h5-8H,1-4H3,(H2,18,19,20,21,22,24)

HIDE SMILES / InChI

Approval Year

Name Type Language
1-Methylethyl 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]benzoate
Systematic Name English
Chloro-2-(((((4-methoxy-6-methyl-1,3,5-triazine-2-yl)-amino)carbonyl)amino)sulfonyl)benzoic acid, 1-methylethyl ester, 4-
Common Name English
Benzoic acid, 4-chloro-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, 1-methylethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
175920
Created by admin on Sat Dec 16 20:06:35 GMT 2023 , Edited by admin on Sat Dec 16 20:06:35 GMT 2023
PRIMARY
FDA UNII
XUD26YJ542
Created by admin on Sat Dec 16 20:06:35 GMT 2023 , Edited by admin on Sat Dec 16 20:06:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID4073758
Created by admin on Sat Dec 16 20:06:35 GMT 2023 , Edited by admin on Sat Dec 16 20:06:35 GMT 2023
PRIMARY
CAS
102995-99-3
Created by admin on Sat Dec 16 20:06:35 GMT 2023 , Edited by admin on Sat Dec 16 20:06:35 GMT 2023
PRIMARY