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Details

Stereochemistry ACHIRAL
Molecular Formula C21H24ClNO6S
Molecular Weight 453.936
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 5-chloro-2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]benzoate

SMILES

CCOC(=O)CCCN(C1=C(C=C(Cl)C=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C)C=C2

InChI

InChIKey=RKGRONRGTDUQAV-UHFFFAOYSA-N
InChI=1S/C21H24ClNO6S/c1-4-29-20(24)6-5-13-23(30(26,27)17-10-7-15(2)8-11-17)19-12-9-16(22)14-18(19)21(25)28-3/h7-12,14H,4-6,13H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Methyl 5-chloro-2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]benzoate
Systematic Name English
Benzoic acid, 5-chloro-2-[(4-ethoxy-4-oxobutyl)[(4-methylphenyl)sulfonyl]amino]-, methyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
R49MW47YHC
Created by admin on Sat Dec 16 19:15:54 GMT 2023 , Edited by admin on Sat Dec 16 19:15:54 GMT 2023
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CAS
247237-43-0
Created by admin on Sat Dec 16 19:15:54 GMT 2023 , Edited by admin on Sat Dec 16 19:15:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID60668241
Created by admin on Sat Dec 16 19:15:54 GMT 2023 , Edited by admin on Sat Dec 16 19:15:54 GMT 2023
PRIMARY
PUBCHEM
45108225
Created by admin on Sat Dec 16 19:15:54 GMT 2023 , Edited by admin on Sat Dec 16 19:15:54 GMT 2023
PRIMARY