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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H12FNO7S2
Molecular Weight 425.408
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-[[[3-(Fluorosulfonyl)phenyl]sulfonyl]amino]-1-hydroxy-2-naphthalenecarboxylic acid

SMILES

OC(=O)C1=C(O)C2=CC=CC(NS(=O)(=O)C3=CC(=CC=C3)S(F)(=O)=O)=C2C=C1

InChI

InChIKey=QWYNOJFRVSXWIF-UHFFFAOYSA-N
InChI=1S/C17H12FNO7S2/c18-27(23,24)10-3-1-4-11(9-10)28(25,26)19-15-6-2-5-13-12(15)7-8-14(16(13)20)17(21)22/h1-9,19-20H,(H,21,22)

HIDE SMILES / InChI

Molecular Formula C17H12FNO7S2
Molecular Weight 425.408
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 13:24:53 GMT 2023
Edited
by admin
on Sat Dec 16 13:24:53 GMT 2023
Record UNII
ZU43PZF53B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-[[[3-(Fluorosulfonyl)phenyl]sulfonyl]amino]-1-hydroxy-2-naphthalenecarboxylic acid
Systematic Name English
2-Naphthalenecarboxylic acid, 5-[[[3-(fluorosulfonyl)phenyl]sulfonyl]amino]-1-hydroxy-
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
275-253-5
Created by admin on Sat Dec 16 13:24:53 GMT 2023 , Edited by admin on Sat Dec 16 13:24:53 GMT 2023
PRIMARY
FDA UNII
ZU43PZF53B
Created by admin on Sat Dec 16 13:24:53 GMT 2023 , Edited by admin on Sat Dec 16 13:24:53 GMT 2023
PRIMARY
PUBCHEM
117049
Created by admin on Sat Dec 16 13:24:53 GMT 2023 , Edited by admin on Sat Dec 16 13:24:53 GMT 2023
PRIMARY
CAS
71173-80-3
Created by admin on Sat Dec 16 13:24:53 GMT 2023 , Edited by admin on Sat Dec 16 13:24:53 GMT 2023
PRIMARY
EPA CompTox
DTXSID9072280
Created by admin on Sat Dec 16 13:24:53 GMT 2023 , Edited by admin on Sat Dec 16 13:24:53 GMT 2023
PRIMARY