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Details

Stereochemistry RACEMIC
Molecular Formula C14H16N2O5S
Molecular Weight 324.352
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-DIOXO-4A,5,6,7,8,8A-HEXAHYDRO-1H-QUINAZOLIN-3-YL) BENZENESULFONATE, TRANS-

SMILES

O=C1N[C@@H]2CCCC[C@H]2C(=O)N1OS(=O)(=O)C3=CC=CC=C3

InChI

InChIKey=DMZBCSVZDOQNJJ-VXGBXAGGSA-N
InChI=1S/C14H16N2O5S/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)21-22(19,20)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,18)/t11-,12-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H16N2O5S
Molecular Weight 324.352
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:49:50 GMT 2025
Edited
by admin
on Tue Apr 01 19:49:50 GMT 2025
Record UNII
TJ2MS3E4V8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-46715
Preferred Name English
2,4-DIOXO-4A,5,6,7,8,8A-HEXAHYDRO-1H-QUINAZOLIN-3-YL) BENZENESULFONATE, TRANS-
Systematic Name English
2,4(1H,3H)-QUINAZOLINEDIONE, HEXAHYDRO-3-((PHENYLSULFONYL)OXY)-, TRANS-
Systematic Name English
(4AS,8AS)-3-((PHENYLSULFONYL)OXY)HEXAHYDROQUINAZOLINE-2,4(1H,3H)-DIONE
Systematic Name English
Code System Code Type Description
CAS
6341-50-0
Created by admin on Tue Apr 01 19:49:50 GMT 2025 , Edited by admin on Tue Apr 01 19:49:50 GMT 2025
PRIMARY
PUBCHEM
92158316
Created by admin on Tue Apr 01 19:49:50 GMT 2025 , Edited by admin on Tue Apr 01 19:49:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID80212826
Created by admin on Tue Apr 01 19:49:50 GMT 2025 , Edited by admin on Tue Apr 01 19:49:50 GMT 2025
PRIMARY
NSC
46715
Created by admin on Tue Apr 01 19:49:50 GMT 2025 , Edited by admin on Tue Apr 01 19:49:50 GMT 2025
PRIMARY
FDA UNII
TJ2MS3E4V8
Created by admin on Tue Apr 01 19:49:50 GMT 2025 , Edited by admin on Tue Apr 01 19:49:50 GMT 2025
PRIMARY