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Details

Stereochemistry ACHIRAL
Molecular Formula C14H11NO3S
Molecular Weight 273.307
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-Benzisothiazolin-3-one, 2-benzyl-, 1,1-dioxide

SMILES

O=C1N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C13

InChI

InChIKey=JLGPMOJYECOCEP-UHFFFAOYSA-N
InChI=1S/C14H11NO3S/c16-14-12-8-4-5-9-13(12)19(17,18)15(14)10-11-6-2-1-3-7-11/h1-9H,10H2

HIDE SMILES / InChI

Molecular Formula C14H11NO3S
Molecular Weight 273.307
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 19:31:43 GMT 2025
Edited
by admin
on Tue Apr 01 19:31:43 GMT 2025
Record UNII
V7GV6HG8MA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-39139
Preferred Name English
1,2-Benzisothiazolin-3-one, 2-benzyl-, 1,1-dioxide
Systematic Name English
2-(Phenylmethyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Systematic Name English
AI3-04138
Code English
1,2-Benzisothiazolin-3(2H)-one, 2-benzyl-, 1,1-dioxide
Systematic Name English
1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-, 1,1-dioxide
Systematic Name English
Code System Code Type Description
NSC
39139
Created by admin on Tue Apr 01 19:31:43 GMT 2025 , Edited by admin on Tue Apr 01 19:31:43 GMT 2025
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CAS
3416-59-9
Created by admin on Tue Apr 01 19:31:43 GMT 2025 , Edited by admin on Tue Apr 01 19:31:43 GMT 2025
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PUBCHEM
95841
Created by admin on Tue Apr 01 19:31:43 GMT 2025 , Edited by admin on Tue Apr 01 19:31:43 GMT 2025
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FDA UNII
V7GV6HG8MA
Created by admin on Tue Apr 01 19:31:43 GMT 2025 , Edited by admin on Tue Apr 01 19:31:43 GMT 2025
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EPA CompTox
DTXSID80187762
Created by admin on Tue Apr 01 19:31:43 GMT 2025 , Edited by admin on Tue Apr 01 19:31:43 GMT 2025
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