3-(Butylamino)-5-[(butylamino)sulfonyl]-4-phenoxybenzoic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H28N2O5S
Molecular Weight	420.522
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(Butylamino)-5-[(butylamino)sulfonyl]-4-phenoxybenzoic acid

Structure Search

SMILES

CCCCNC1=C(OC2=CC=CC=C2)C(=CC(=C1)C(O)=O)S(=O)(=O)NCCCC

InChI

InChIKey=DFNMTPXQLBXADX-UHFFFAOYSA-N

InChI=1S/C21H28N2O5S/c1-3-5-12-22-18-14-16(21(24)25)15-19(29(26,27)23-13-6-4-2)20(18)28-17-10-8-7-9-11-17/h7-11,14-15,22-23H,3-6,12-13H2,1-2H3,(H,24,25)

HIDE SMILES / InChI

Molecular Formula	C21H28N2O5S
Molecular Weight	420.522
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 19:16:01 GMT 2025` Edited by `admin` on `Wed Apr 02 19:16:01 GMT 2025`
Record UNII	U5UPB5L6SH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(Butylamino)-5-[(butylamino)sulfonyl]-4-phenoxybenzoic acid

Systematic Name

English

Benzoic acid, 3-(butylamino)-5-(butylsulfamoyl)-4-phenoxy-

Preferred Name

English

Benzoic acid, 3-(butylamino)-5-[(butylamino)sulfonyl]-4-phenoxy-

Systematic Name

English

Code System Code Type Description

CAS

28469-01-4

Created by admin on Wed Apr 02 19:16:01 GMT 2025 , Edited by admin on Wed Apr 02 19:16:01 GMT 2025

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FDA UNII

U5UPB5L6SH

Created by admin on Wed Apr 02 19:16:01 GMT 2025 , Edited by admin on Wed Apr 02 19:16:01 GMT 2025

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PUBCHEM

16414021

Created by admin on Wed Apr 02 19:16:01 GMT 2025 , Edited by admin on Wed Apr 02 19:16:01 GMT 2025

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