SODIUM 2-(7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-3-YL)-1H-BENZIMIDAZOLESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H18N3O5S.Na
Molecular Weight	435.429
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 2-(7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-3-YL)-1H-BENZIMIDAZOLESULFONATE

Structure Search

SMILES

[Na+].CCN(CC)C1=CC2=C(C=C1)C(=C(C3N=C4C=CC=CC4=N3)C(=O)O2)S([O-])(=O)=O

InChI

InChIKey=RAQMAHFBSHZIAV-UHFFFAOYSA-M

InChI=1S/C20H19N3O5S.Na/c1-3-23(4-2)12-9-10-13-16(11-12)28-20(24)17(18(13)29(25,26)27)19-21-14-7-5-6-8-15(14)22-19;/h5-11,19H,3-4H2,1-2H3,(H,25,26,27);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C20H18N3O5S
Molecular Weight	412.439
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 08:22:51 GMT 2023` Edited by `admin` on `Sat Dec 16 08:22:51 GMT 2023`
Record UNII	FT9Y34W9UL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 2-(7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-3-YL)-1H-BENZIMIDAZOLESULFONATE

Systematic Name

English

1H-BENZIMIDAZOLESULFONIC ACID, 2-(7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-3-YL)-, SODIUM SALT (1:1)

Systematic Name

English

SODIUM 2-(7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-3-YL)-1H-BENZIMIDAZOLESULPHONATE

Systematic Name

English

1H-BENZIMIDAZOLESULFONIC ACID, 2-(7-(DIETHYLAMINO)-2-OXO-2H-1-BENZOPYRAN-3-YL)-, MONOSODIUM SALT

Systematic Name

English

Code System Code Type Description

PUBCHEM

138394827