4-[6-Chloro-3-[3-(2-chloro-3-fluorophenyl)ureido]-2-hydroxybenzenesulfonyl]piperazine-1-carboxylic acid tert-butyl ester

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H25Cl2FN4O6S
Molecular Weight	563.427
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-[6-Chloro-3-[3-(2-chloro-3-fluorophenyl)ureido]-2-hydroxybenzenesulfonyl]piperazine-1-carboxylic acid tert-butyl ester

Structure Search

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(Cl)C=CC(NC(=O)NC3=CC=CC(F)=C3Cl)=C2O

InChI

InChIKey=LCHGHOOTDHXAKQ-UHFFFAOYSA-N

InChI=1S/C22H25Cl2FN4O6S/c1-22(2,3)35-21(32)28-9-11-29(12-10-28)36(33,34)19-13(23)7-8-16(18(19)30)27-20(31)26-15-6-4-5-14(25)17(15)24/h4-8,30H,9-12H2,1-3H3,(H2,26,27,31)

HIDE SMILES / InChI

Molecular Formula	C22H25Cl2FN4O6S
Molecular Weight	563.427
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 05:47:03 GMT 2025` Edited by `admin` on `Wed Apr 02 05:47:03 GMT 2025`
Record UNII	BY4LS6J3AS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Dimethylethyl 4-[[6-chloro-3-[[[(2-chloro-3-fluorophenyl)amino]carbonyl]amino]-2-hydroxyphenyl]sulfonyl]-1-piperazinecarboxylate

Preferred Name

English

4-[6-Chloro-3-[3-(2-chloro-3-fluorophenyl)ureido]-2-hydroxybenzenesulfonyl]piperazine-1-carboxylic acid tert-butyl ester

Systematic Name

English

1-Piperazinecarboxylic acid, 4-[[6-chloro-3-[[[(2-chloro-3-fluorophenyl)amino]carbonyl]amino]-2-hydroxyphenyl]sulfonyl]-, 1,1-dimethylethyl ester

Systematic Name

English

4-[[6-Chloro-3-[N?-(2-chloro-3-fluorophenyl)ureido]-2-hydroxyphenyl]sulfonyl]piperazine-1-carboxylic acid tert-butyl ester

Systematic Name

English

Code System Code Type Description

FDA UNII

BY4LS6J3AS

Created by admin on Wed Apr 02 05:47:03 GMT 2025 , Edited by admin on Wed Apr 02 05:47:03 GMT 2025

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PUBCHEM

67077023

Created by admin on Wed Apr 02 05:47:03 GMT 2025 , Edited by admin on Wed Apr 02 05:47:03 GMT 2025

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