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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H14N4O4S
Molecular Weight 334.35
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Aminosulfonyl)phenyl 4-[(aminoiminomethyl)amino]benzoate

SMILES

NC(N)=NC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)S(N)(=O)=O

InChI

InChIKey=YFUQTMNUQVFBBS-UHFFFAOYSA-N
InChI=1S/C14H14N4O4S/c15-14(16)18-10-3-1-9(2-4-10)13(19)22-11-5-7-12(8-6-11)23(17,20)21/h1-8H,(H4,15,16,18)(H2,17,20,21)

HIDE SMILES / InChI

Molecular Formula C14H14N4O4S
Molecular Weight 334.35
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 15:44:41 GMT 2023
Edited
by admin
on Sat Dec 16 15:44:41 GMT 2023
Record UNII
LRX3G8M882
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(Aminosulfonyl)phenyl 4-[(aminoiminomethyl)amino]benzoate
Systematic Name English
(4-Sulfamoylphenyl) 4-(bis(azanyl)methylideneamino)benzoate
Systematic Name English
Benzoic acid, 4-[(aminoiminomethyl)amino]-, 4-(aminosulfonyl)phenyl ester
Systematic Name English
Code System Code Type Description
CAS
76472-28-1
Created by admin on Sat Dec 16 15:44:41 GMT 2023 , Edited by admin on Sat Dec 16 15:44:41 GMT 2023
PRIMARY
PUBCHEM
127139
Created by admin on Sat Dec 16 15:44:41 GMT 2023 , Edited by admin on Sat Dec 16 15:44:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID10997851
Created by admin on Sat Dec 16 15:44:41 GMT 2023 , Edited by admin on Sat Dec 16 15:44:41 GMT 2023
PRIMARY
FDA UNII
LRX3G8M882
Created by admin on Sat Dec 16 15:44:41 GMT 2023 , Edited by admin on Sat Dec 16 15:44:41 GMT 2023
PRIMARY