3-(N-(4-Methylphenyl)sulfonylanilino)propanoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H17NO4S
Molecular Weight	319.375
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(N-(4-Methylphenyl)sulfonylanilino)propanoic acid

Structure Search

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(O)=O)C2=CC=CC=C2

InChI

InChIKey=SQAMMNMSZORLLO-UHFFFAOYSA-N

InChI=1S/C16H17NO4S/c1-13-7-9-15(10-8-13)22(20,21)17(12-11-16(18)19)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19)

HIDE SMILES / InChI

Molecular Formula	C16H17NO4S
Molecular Weight	319.375
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 `Wed Apr 02 11:01:23 GMT 2025` Edited by `admin` on `Wed Apr 02 11:01:23 GMT 2025`
Record UNII	EE3F3JWV7U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-144449

Preferred Name

English

3-(N-(4-Methylphenyl)sulfonylanilino)propanoic acid

Systematic Name

English

3-(((4-Methylphenyl)sulfonyl)anilino)propanoic acid

Systematic Name

English

Code System Code Type Description

PUBCHEM

286365

Created by admin on Wed Apr 02 11:01:23 GMT 2025 , Edited by admin on Wed Apr 02 11:01:23 GMT 2025

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EPA CompTox

DTXSID10983719

Created by admin on Wed Apr 02 11:01:23 GMT 2025 , Edited by admin on Wed Apr 02 11:01:23 GMT 2025

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CAS

65148-06-3

Created by admin on Wed Apr 02 11:01:23 GMT 2025 , Edited by admin on Wed Apr 02 11:01:23 GMT 2025

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FDA UNII

EE3F3JWV7U

Created by admin on Wed Apr 02 11:01:23 GMT 2025 , Edited by admin on Wed Apr 02 11:01:23 GMT 2025

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NSC

144449

Created by admin on Wed Apr 02 11:01:23 GMT 2025 , Edited by admin on Wed Apr 02 11:01:23 GMT 2025

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