CGA-137053

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H21N3O9S2
Molecular Weight	535.547
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)CC(=O)NC1=CC=C(\C=C\C2=CC=C(C=C2S(O)(=O)=O)N3N=C(C)C=C3O)C(=C1)S(O)(=O)=O

InChI

InChIKey=NABFARLFWGQMRP-ONEGZZNKSA-N

InChI=1S/C22H21N3O9S2/c1-13-9-22(28)25(24-13)18-8-6-16(20(12-18)36(32,33)34)4-3-15-5-7-17(11-19(15)35(29,30)31)23-21(27)10-14(2)26/h3-9,11-12,28H,10H2,1-2H3,(H,23,27)(H,29,30,31)(H,32,33,34)/b4-3+

HIDE SMILES / InChI

Molecular Formula	C22H21N3O9S2
Molecular Weight	535.547
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:41:40 GMT 2025` Edited by `admin` on `Mon Mar 31 22:41:40 GMT 2025`
Record UNII	CAK4Q3FQ5D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CGA-137053

Common Name

English

BENZENESULFONIC ACID, 5-((1,3-DIOXOBUTYL)AMINO)-2-(2-(4-(5-HYDROXY-3-METHYL-1H-PYRAZOL-1-YL)-2-SULFOPHENYL)ETHENYL)-

Preferred Name

English

Code System Code Type Description

CAS

1219941-93-1

Created by admin on Mon Mar 31 22:41:40 GMT 2025 , Edited by admin on Mon Mar 31 22:41:40 GMT 2025

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PUBCHEM

72941999

Created by admin on Mon Mar 31 22:41:40 GMT 2025 , Edited by admin on Mon Mar 31 22:41:40 GMT 2025

PRIMARY

FDA UNII

CAK4Q3FQ5D

Created by admin on Mon Mar 31 22:41:40 GMT 2025 , Edited by admin on Mon Mar 31 22:41:40 GMT 2025

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Related Record Type Details


					CAK4Q3FQ5D

CGA-137053

ACTIVE MOIETY