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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N2O4S
Molecular Weight 244.268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(2-(4-NITROPHENYL)ETHYL)METHANESULFONAMIDE

SMILES

CS(=O)(=O)NCCC1=CC=C(C=C1)[N+]([O-])=O

InChI

InChIKey=NJCUPWWIUJMALZ-UHFFFAOYSA-N
InChI=1S/C9H12N2O4S/c1-16(14,15)10-7-6-8-2-4-9(5-3-8)11(12)13/h2-5,10H,6-7H2,1H3

HIDE SMILES / InChI

Molecular Formula C9H12N2O4S
Molecular Weight 244.268
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 12:03:27 GMT 2023
Edited
by admin
on Sat Dec 16 12:03:27 GMT 2023
Record UNII
X3S3EKX4HB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(2-(4-NITROPHENYL)ETHYL)METHANESULFONAMIDE
Systematic Name English
METHANESULFONAMIDE, N-(2-(4-NITROPHENYL)ETHYL)-
Systematic Name English
N-(4-NITROPHENETHYL)METHANESULPHONAMIDE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
246-546-5
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
FDA UNII
X3S3EKX4HB
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
CAS
24954-60-7
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID7067037
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY
PUBCHEM
90664
Created by admin on Sat Dec 16 12:03:27 GMT 2023 , Edited by admin on Sat Dec 16 12:03:27 GMT 2023
PRIMARY