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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H17NO4S
Molecular Weight 271.333
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-((PHENYLSULFONYL)AMINO)HEXANOIC ACID

SMILES

OC(=O)CCCCCNS(=O)(=O)C1=CC=CC=C1

InChI

InChIKey=KKKPOIVLPJUNEA-UHFFFAOYSA-N
InChI=1S/C12H17NO4S/c14-12(15)9-5-2-6-10-13-18(16,17)11-7-3-1-4-8-11/h1,3-4,7-8,13H,2,5-6,9-10H2,(H,14,15)

HIDE SMILES / InChI

Molecular Formula C12H17NO4S
Molecular Weight 271.333
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 Tue Apr 01 19:04:20 GMT 2025
Edited
by admin
on Tue Apr 01 19:04:20 GMT 2025
Record UNII
DG4DBW4RNZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-((PHENYLSULFONYL)AMINO)HEXANOIC ACID
Systematic Name English
6-((PHENYLSULPHONYL)AMINO)HEXANOIC ACID
Preferred Name English
6-(BENZENESULPHONYLAMINO)HEXANOIC ACID
Systematic Name English
6-(BENZENESULFONYLAMINO)HEXANOIC ACID
Systematic Name English
HEXANOIC ACID, 6-((PHENYLSULPHONYL)AMINO)-
Systematic Name English
HEXANOIC ACID, 6-((PHENYLSULFONYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
DG4DBW4RNZ
Created by admin on Tue Apr 01 19:04:20 GMT 2025 , Edited by admin on Tue Apr 01 19:04:20 GMT 2025
PRIMARY
PUBCHEM
3017278
Created by admin on Tue Apr 01 19:04:20 GMT 2025 , Edited by admin on Tue Apr 01 19:04:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID20210720
Created by admin on Tue Apr 01 19:04:20 GMT 2025 , Edited by admin on Tue Apr 01 19:04:20 GMT 2025
PRIMARY
ECHA (EC/EINECS)
262-932-6
Created by admin on Tue Apr 01 19:04:20 GMT 2025 , Edited by admin on Tue Apr 01 19:04:20 GMT 2025
PRIMARY
CAS
61714-42-9
Created by admin on Tue Apr 01 19:04:20 GMT 2025 , Edited by admin on Tue Apr 01 19:04:20 GMT 2025
PRIMARY