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Details

Stereochemistry ACHIRAL
Molecular Formula C11H15NO4S
Molecular Weight 257.306
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[(1-Methylethyl)phenylamino]-2-oxoethanesulfonic acid

SMILES

CC(C)N(C(=O)CS(O)(=O)=O)C1=CC=CC=C1

InChI

InChIKey=BFSZJLBDHMMCAH-UHFFFAOYSA-N
InChI=1S/C11H15NO4S/c1-9(2)12(10-6-4-3-5-7-10)11(13)8-17(14,15)16/h3-7,9H,8H2,1-2H3,(H,14,15,16)

HIDE SMILES / InChI

Molecular Formula C11H15NO4S
Molecular Weight 257.306
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 Wed Apr 02 18:27:23 GMT 2025
Edited
by admin
on Wed Apr 02 18:27:23 GMT 2025
Record UNII
58W9F4S6QP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethanesulfonic acid, 2-[(1-methylethyl)phenylamino]-2-oxo-
Preferred Name English
2-[(1-Methylethyl)phenylamino]-2-oxoethanesulfonic acid
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20891452
Created by admin on Wed Apr 02 18:27:23 GMT 2025 , Edited by admin on Wed Apr 02 18:27:23 GMT 2025
PRIMARY
FDA UNII
58W9F4S6QP
Created by admin on Wed Apr 02 18:27:23 GMT 2025 , Edited by admin on Wed Apr 02 18:27:23 GMT 2025
PRIMARY
CAS
123732-85-4
Created by admin on Wed Apr 02 18:27:23 GMT 2025 , Edited by admin on Wed Apr 02 18:27:23 GMT 2025
PRIMARY
PUBCHEM
16212221
Created by admin on Wed Apr 02 18:27:23 GMT 2025 , Edited by admin on Wed Apr 02 18:27:23 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT