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Details

Stereochemistry ACHIRAL
Molecular Formula C21H15N3O6S
Molecular Weight 437.425
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-methyl-N-[2-(6-nitro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzene-1-sulfonamide

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=NC4=C(C=C(C=C4)[N+]([O-])=O)C(=O)O3

InChI

InChIKey=PYLYZXBDFSKPBD-UHFFFAOYSA-N
InChI=1S/C21H15N3O6S/c1-13-6-9-15(10-7-13)31(28,29)23-19-5-3-2-4-16(19)20-22-18-11-8-14(24(26)27)12-17(18)21(25)30-20/h2-12,23H,1H3

HIDE SMILES / InChI

Molecular Formula C21H15N3O6S
Molecular Weight 437.425
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 20:13:49 GMT 2025
Edited
by admin
on Tue Apr 01 20:13:49 GMT 2025
Record UNII
KP4PK5AQ6X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-methyl-N-[2-(6-nitro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzene-1-sulfonamide
Systematic Name English
NSC-209925
Preferred Name English
N-(2-(6-(HYDROXY(OXIDO)AMINO)-4-OXO-4H-3,1-BENZOXAZIN-2-YL)PHENYL)-4-METHYLBENZENESULFONAMIDE
Systematic Name English
4-Methyl-N-[2-(6-nitro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
Systematic Name English
Benzenesulfonamide, 4-methyl-N-[2-(6-nitro-4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
308408
Created by admin on Tue Apr 01 20:13:49 GMT 2025 , Edited by admin on Tue Apr 01 20:13:49 GMT 2025
PRIMARY
NSC
209925
Created by admin on Tue Apr 01 20:13:49 GMT 2025 , Edited by admin on Tue Apr 01 20:13:49 GMT 2025
PRIMARY
CAS
37029-01-9
Created by admin on Tue Apr 01 20:13:49 GMT 2025 , Edited by admin on Tue Apr 01 20:13:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID60190532
Created by admin on Tue Apr 01 20:13:49 GMT 2025 , Edited by admin on Tue Apr 01 20:13:49 GMT 2025
PRIMARY
FDA UNII
KP4PK5AQ6X
Created by admin on Tue Apr 01 20:13:49 GMT 2025 , Edited by admin on Tue Apr 01 20:13:49 GMT 2025
PRIMARY