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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H20N6O3S
Molecular Weight 448.498
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-(4-((3-AZIDO-5-METHYL-9-ACRIDINYL)AMINO)-3-METHOXYPHENYL)METHANESULFONAMIDE

SMILES

COC1=CC(NS(C)(=O)=O)=CC=C1NC2=C3C=CC(=CC3=NC4=C(C)C=CC=C24)N=[N+]=[N-]

InChI

InChIKey=DTAKJBSJVRKEMD-UHFFFAOYSA-N
InChI=1S/C22H20N6O3S/c1-13-5-4-6-17-21(13)25-19-11-14(26-28-23)7-9-16(19)22(17)24-18-10-8-15(12-20(18)31-2)27-32(3,29)30/h4-12,27H,1-3H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula C22H20N6O3S
Molecular Weight 448.498
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:25:27 GMT 2023
Edited
by admin
on Sat Dec 16 01:25:27 GMT 2023
Record UNII
58B2OA93NN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-((3-AZIDO-5-METHYL-9-ACRIDINYL)AMINO)-3-METHOXYPHENYL)METHANESULFONAMIDE
Systematic Name English
METHANESULFONAMIDE, N-(4-((3-AZIDO-5-METHYL-9-ACRIDINYL)AMINO)-3-METHOXYPHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
58B2OA93NN
Created by admin on Sat Dec 16 01:25:27 GMT 2023 , Edited by admin on Sat Dec 16 01:25:27 GMT 2023
PRIMARY
PUBCHEM
3035364
Created by admin on Sat Dec 16 01:25:27 GMT 2023 , Edited by admin on Sat Dec 16 01:25:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID30149097
Created by admin on Sat Dec 16 01:25:27 GMT 2023 , Edited by admin on Sat Dec 16 01:25:27 GMT 2023
PRIMARY
CAS
110004-69-8
Created by admin on Sat Dec 16 01:25:27 GMT 2023 , Edited by admin on Sat Dec 16 01:25:27 GMT 2023
PRIMARY