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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19NO2S
Molecular Weight 253.36
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((4-METHYLPHENYL)SULFONYL)AZEPANE

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChIKey=WYGOYZNQMXVUEJ-UHFFFAOYSA-N
InChI=1S/C13H19NO2S/c1-12-6-8-13(9-7-12)17(15,16)14-10-4-2-3-5-11-14/h6-9H,2-5,10-11H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H19NO2S
Molecular Weight 253.36
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 19:44:32 GMT 2025
Edited
by admin
on Tue Apr 01 19:44:32 GMT 2025
Record UNII
G89TSK885N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-61577
Preferred Name English
1-((4-METHYLPHENYL)SULFONYL)AZEPANE
Systematic Name English
1-(4-METHYLBENZENESULFONYL)AZEPANE
Systematic Name English
1-(P-METHYLBENZENESULFONYL)AZEPANE
Systematic Name English
1H-AZEPINE, HEXAHYDRO-1-((4-METHYLPHENYL)SULFONYL)-
Systematic Name English
HEXAHYDRO-1-((4-METHYLPHENYL)SULFONYL)-1H-AZEPINE
Systematic Name English
1-(TOLUENE-4-SULFONYL)-AZEPANE
Systematic Name English
Code System Code Type Description
CAS
17721-45-8
Created by admin on Tue Apr 01 19:44:32 GMT 2025 , Edited by admin on Tue Apr 01 19:44:32 GMT 2025
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FDA UNII
G89TSK885N
Created by admin on Tue Apr 01 19:44:32 GMT 2025 , Edited by admin on Tue Apr 01 19:44:32 GMT 2025
PRIMARY
PUBCHEM
247211
Created by admin on Tue Apr 01 19:44:32 GMT 2025 , Edited by admin on Tue Apr 01 19:44:32 GMT 2025
PRIMARY
NSC
61577
Created by admin on Tue Apr 01 19:44:32 GMT 2025 , Edited by admin on Tue Apr 01 19:44:32 GMT 2025
PRIMARY
EPA CompTox
DTXSID80170270
Created by admin on Tue Apr 01 19:44:32 GMT 2025 , Edited by admin on Tue Apr 01 19:44:32 GMT 2025
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