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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14N2O4S
Molecular Weight 330.358
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENESULFONAMIDE, 4-(3-(3-HYDROXYPHENYL)-5-METHYL-4-ISOXAZOLYL)-

SMILES

CC1=C(C(=NO1)C2=CC=CC(O)=C2)C3=CC=C(C=C3)S(N)(=O)=O

InChI

InChIKey=IAVWHASLRCBDDK-UHFFFAOYSA-N
InChI=1S/C16H14N2O4S/c1-10-15(11-5-7-14(8-6-11)23(17,20)21)16(18-22-10)12-3-2-4-13(19)9-12/h2-9,19H,1H3,(H2,17,20,21)

HIDE SMILES / InChI

Molecular Formula C16H14N2O4S
Molecular Weight 330.358
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 Thu Jul 06 14:39:18 UTC 2023
Edited
by admin
on Thu Jul 06 14:39:18 UTC 2023
Record UNII
LQM255TK1N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENESULFONAMIDE, 4-(3-(3-HYDROXYPHENYL)-5-METHYL-4-ISOXAZOLYL)-
Systematic Name English
VALDECOXIB METABOLITE M9
Common Name English
Code System Code Type Description
PUBCHEM
72710738
Created by admin on Thu Jul 06 14:39:18 UTC 2023 , Edited by admin on Thu Jul 06 14:39:18 UTC 2023
PRIMARY
FDA UNII
LQM255TK1N
Created by admin on Thu Jul 06 14:39:18 UTC 2023 , Edited by admin on Thu Jul 06 14:39:18 UTC 2023
PRIMARY
CAS
501093-54-5
Created by admin on Thu Jul 06 14:39:18 UTC 2023 , Edited by admin on Thu Jul 06 14:39:18 UTC 2023
PRIMARY
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