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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H17N3O5S
Molecular Weight 315.345
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-NITRO-4-(((TETRAHYDRO-2H-PYRAN-4-YL) METHYL)AMINO) BENZENE SULFONAMIDE

SMILES

NS(=O)(=O)C1=CC(=C(NCC2CCOCC2)C=C1)[N+]([O-])=O

InChI

InChIKey=HNQRHNYBVWICKB-UHFFFAOYSA-N
InChI=1S/C12H17N3O5S/c13-21(18,19)10-1-2-11(12(7-10)15(16)17)14-8-9-3-5-20-6-4-9/h1-2,7,9,14H,3-6,8H2,(H2,13,18,19)

HIDE SMILES / InChI

Molecular Formula C12H17N3O5S
Molecular Weight 315.345
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 15:26:56 GMT 2023
Edited
by admin
on Sat Dec 16 15:26:56 GMT 2023
Record UNII
5I2EU37URS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-NITRO-4-(((TETRAHYDRO-2H-PYRAN-4-YL) METHYL)AMINO) BENZENE SULFONAMIDE
Systematic Name English
3-NITRO-4-(((TETRAHYDRO-2H-PYRAN-4-YL) METHYL) AMINO)BENZENESULFONAMIDE
Systematic Name English
BENZENESULFONAMIDE, 3-NITRO-4-(((TETRAHYDRO-2H-PYRAN-4-YL)METHYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
5I2EU37URS
Created by admin on Sat Dec 16 15:26:56 GMT 2023 , Edited by admin on Sat Dec 16 15:26:56 GMT 2023
PRIMARY
CAS
1228779-96-1
Created by admin on Sat Dec 16 15:26:56 GMT 2023 , Edited by admin on Sat Dec 16 15:26:56 GMT 2023
PRIMARY
PUBCHEM
57474953
Created by admin on Sat Dec 16 15:26:56 GMT 2023 , Edited by admin on Sat Dec 16 15:26:56 GMT 2023
PRIMARY