2-[[[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]carbonyl]benzoic acid

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H18N4O5S
Molecular Weight	426.446
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[[[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]carbonyl]benzoic acid

Structure Search

SMILES

CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=CC=C3C(O)=O)C=C2)=N1

InChI

InChIKey=ASNQBPSYZGXIDK-UHFFFAOYSA-N

InChI=1S/C20H18N4O5S/c1-12-11-13(2)22-20(21-12)24-30(28,29)15-9-7-14(8-10-15)23-18(25)16-5-3-4-6-17(16)19(26)27/h3-11H,1-2H3,(H,23,25)(H,26,27)(H,21,22,24)

HIDE SMILES / InChI

Molecular Formula	C20H18N4O5S
Molecular Weight	426.446
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 `Sat Dec 16 12:22:27 GMT 2023` Edited by `admin` on `Sat Dec 16 12:22:27 GMT 2023`
Record UNII	L8ETK5JT78
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[[[4-[[(4,6-Dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]carbonyl]benzoic acid

Systematic Name

English

Benzoic acid, 2-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]carbonyl]-

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

302-798-9