1-[2-[[[3,5-Dichloro-4-[[4-[(2-cyanoethyl)methylamino]phenyl]azo]phenyl]sulfonyl]amino]ethyl]pyridinium chloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H23Cl2N6O2S.Cl
Molecular Weight	553.892
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 1-[2-[[[3,5-Dichloro-4-[[4-[(2-cyanoethyl)methylamino]phenyl]azo]phenyl]sulfonyl]amino]ethyl]pyridinium chloride

Structure Search

SMILES

[Cl-].CN(CCC#N)C1=CC=C(C=C1)\N=N\C2=C(Cl)C=C(C=C2Cl)S(=O)(=O)NCC[N+]3=CC=CC=C3

InChI

InChIKey=ZTDOWSYGFNKZEF-IRWWKPKRSA-M

InChI=1S/C23H23Cl2N6O2S.ClH/c1-30(12-5-10-26)19-8-6-18(7-9-19)28-29-23-21(24)16-20(17-22(23)25)34(32,33)27-11-15-31-13-3-2-4-14-31;/h2-4,6-9,13-14,16-17,27H,5,11-12,15H2,1H3;1H/q+1;/p-1/b29-28+;

HIDE SMILES / InChI

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C23H23Cl2N6O2S
Molecular Weight	518.439
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:09:08 GMT 2025` Edited by `admin` on `Wed Apr 02 19:09:08 GMT 2025`
Record UNII	EGD8FTJ8WA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

1-[2-[[[3,5-Dichloro-4-[2-[4-[(2-cyanoethyl)methylamino]phenyl]diazenyl]phenyl]sulfonyl]amino]ethyl]pyridinium chloride

Preferred Name

English

1-[2-[[[3,5-Dichloro-4-[[4-[(2-cyanoethyl)methylamino]phenyl]azo]phenyl]sulfonyl]amino]ethyl]pyridinium chloride

Systematic Name

English

Pyridinium, 1-[2-[[[3,5-dichloro-4-[2-[4-[(2-cyanoethyl)methylamino]phenyl]diazenyl]phenyl]sulfonyl]amino]ethyl]-, chloride

Systematic Name

English

Code System Code Type Description

FDA UNII

EGD8FTJ8WA