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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H17NO2S
Molecular Weight 299.387
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,3-TRIMETHYL-5-(PHENYLSULFONYL)-3H-INDOLE

SMILES

CC1=NC2=C(C=C(C=C2)S(=O)(=O)C3=CC=CC=C3)C1(C)C

InChI

InChIKey=XMZRGAIXGAXJBU-UHFFFAOYSA-N
InChI=1S/C17H17NO2S/c1-12-17(2,3)15-11-14(9-10-16(15)18-12)21(19,20)13-7-5-4-6-8-13/h4-11H,1-3H3

HIDE SMILES / InChI

Molecular Formula C17H17NO2S
Molecular Weight 299.387
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 19:42:55 GMT 2025
Edited
by admin
on Tue Apr 01 19:42:55 GMT 2025
Record UNII
85I8FP2ASB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,3-TRIMETHYL-5-(PHENYLSULFONYL)-3H-INDOLE
Systematic Name English
3H-INDOLE, 2,3,3-TRIMETHYL-5-(PHENYLSULFONYL)-
Preferred Name English
2,3,3-TRIMETHYL-5-(PHENYLSULFONYL)INDOLENINE
Systematic Name English
Code System Code Type Description
PUBCHEM
108685
Created by admin on Tue Apr 01 19:42:55 GMT 2025 , Edited by admin on Tue Apr 01 19:42:55 GMT 2025
PRIMARY
CAS
55203-59-3
Created by admin on Tue Apr 01 19:42:55 GMT 2025 , Edited by admin on Tue Apr 01 19:42:55 GMT 2025
PRIMARY
FDA UNII
85I8FP2ASB
Created by admin on Tue Apr 01 19:42:55 GMT 2025 , Edited by admin on Tue Apr 01 19:42:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID9069003
Created by admin on Tue Apr 01 19:42:55 GMT 2025 , Edited by admin on Tue Apr 01 19:42:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
259-529-2
Created by admin on Tue Apr 01 19:42:55 GMT 2025 , Edited by admin on Tue Apr 01 19:42:55 GMT 2025
PRIMARY