CGS-22652

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H29ClN2O4S
Molecular Weight	452.995
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CCC(CCCCNS(=O)(=O)C1=CC=C(Cl)C=C1)CCCC2=CN=CC=C2

InChI

InChIKey=ISMHAZMNDUAHLK-UHFFFAOYSA-N

InChI=1S/C22H29ClN2O4S/c23-20-10-12-21(13-11-20)30(28,29)25-16-2-1-5-18(9-14-22(26)27)6-3-7-19-8-4-15-24-17-19/h4,8,10-13,15,17-18,25H,1-3,5-7,9,14,16H2,(H,26,27)

HIDE SMILES / InChI

Molecular Formula	C22H29ClN2O4S
Molecular Weight	452.995
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:40:45 GMT 2023` Edited by `admin` on `Fri Dec 15 15:40:45 GMT 2023`
Record UNII	30VA6WH2E7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CGS-22652

Code

English

3-PYRIDINEHEPTANOIC ACID, .GAMMA.-(4-(((4-CHLOROPHENYL)SULFONYL)AMINO)BUTYL)-, (±)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30928526

Created by admin on Fri Dec 15 15:40:45 GMT 2023 , Edited by admin on Fri Dec 15 15:40:45 GMT 2023

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PUBCHEM

131717

Created by admin on Fri Dec 15 15:40:45 GMT 2023 , Edited by admin on Fri Dec 15 15:40:45 GMT 2023

PRIMARY

CAS

134235-78-2

Created by admin on Fri Dec 15 15:40:45 GMT 2023 , Edited by admin on Fri Dec 15 15:40:45 GMT 2023

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FDA UNII

30VA6WH2E7

Created by admin on Fri Dec 15 15:40:45 GMT 2023 , Edited by admin on Fri Dec 15 15:40:45 GMT 2023

PRIMARY