2-((4-AMINOBENZOYL)AMINO)-5-(6-METHYL-2-BENZOTHIAZOLYL)BENZENESULFONIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H17N3O4S2
Molecular Weight	439.507
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-((4-AMINOBENZOYL)AMINO)-5-(6-METHYL-2-BENZOTHIAZOLYL)BENZENESULFONIC ACID

Structure Search

SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(NC(=O)C4=CC=C(N)C=C4)C=C3)S(O)(=O)=O

InChI

InChIKey=OINIYAOVPXPWNV-UHFFFAOYSA-N

InChI=1S/C21H17N3O4S2/c1-12-2-8-16-18(10-12)29-21(24-16)14-5-9-17(19(11-14)30(26,27)28)23-20(25)13-3-6-15(22)7-4-13/h2-11H,22H2,1H3,(H,23,25)(H,26,27,28)

HIDE SMILES / InChI

Molecular Formula	C21H17N3O4S2
Molecular Weight	439.507
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 05:17:16 GMT 2025` Edited by `admin` on `Wed Apr 02 05:17:16 GMT 2025`
Record UNII	89WQ28WKB4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-26699

Preferred Name

English

2-((4-AMINOBENZOYL)AMINO)-5-(6-METHYL-2-BENZOTHIAZOLYL)BENZENESULFONIC ACID

Systematic Name

English

BENZENESULFONIC ACID, 2-((4-AMINOBENZOYL)AMINO)-5-(6-METHYL-2-BENZOTHIAZOLYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30282594