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Details

Stereochemistry ACHIRAL
Molecular Formula C20H15NO4S
Molecular Weight 365.402
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BW-114

SMILES

OC1(C=CC(=O)C=C1)C2=CC3=C(C=CC=C3)N2S(=O)(=O)C4=CC=CC=C4

InChI

InChIKey=HWKQYGBAAMKHDY-UHFFFAOYSA-N
InChI=1S/C20H15NO4S/c22-16-10-12-20(23,13-11-16)19-14-15-6-4-5-9-18(15)21(19)26(24,25)17-7-2-1-3-8-17/h1-14,23H

HIDE SMILES / InChI

Molecular Formula C20H15NO4S
Molecular Weight 365.402
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:31:01 GMT 2023
Edited
by admin
on Sat Dec 16 08:31:01 GMT 2023
Record UNII
Z12NZ7V81Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BW-114
Common Name English
1H-INDOLE, 2-(1-HYDROXY-4-OXO-2,5-CYCLOHEXADIEN-1-YL)-1-(PHENYLSULFONYL)-
Systematic Name English
2,5-CYCLOHEXADIEN-1-ONE, 4-HYDROXY-4-(1-(PHENYLSULFONYL)-1H-INDOL-2-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9907134
Created by admin on Sat Dec 16 08:31:01 GMT 2023 , Edited by admin on Sat Dec 16 08:31:01 GMT 2023
PRIMARY
FDA UNII
Z12NZ7V81Z
Created by admin on Sat Dec 16 08:31:01 GMT 2023 , Edited by admin on Sat Dec 16 08:31:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID401153476
Created by admin on Sat Dec 16 08:31:01 GMT 2023 , Edited by admin on Sat Dec 16 08:31:01 GMT 2023
PRIMARY
CAS
719308-90-4
Created by admin on Sat Dec 16 08:31:01 GMT 2023 , Edited by admin on Sat Dec 16 08:31:01 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY