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Details

Stereochemistry ACHIRAL
Molecular Formula C23H27N3O3S
Molecular Weight 425.544
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[[Bis[4-(dimethylamino)phenyl]methyl]amino]benzenesulfonic acid

SMILES

CN(C)C1=CC=C(C=C1)C(NC2=CC=C(C=C2)S(O)(=O)=O)C3=CC=C(C=C3)N(C)C

InChI

InChIKey=GWNOPYKHUMPPBG-UHFFFAOYSA-N
InChI=1S/C23H27N3O3S/c1-25(2)20-11-5-17(6-12-20)23(18-7-13-21(14-8-18)26(3)4)24-19-9-15-22(16-10-19)30(27,28)29/h5-16,23-24H,1-4H3,(H,27,28,29)

HIDE SMILES / InChI

Molecular Formula C23H27N3O3S
Molecular Weight 425.544
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 Tue Apr 01 17:46:37 GMT 2025
Edited
by admin
on Tue Apr 01 17:46:37 GMT 2025
Record UNII
H888WY96P3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
p-((Bis(4-(dimethylamino)phenyl)methyl)amino)benzenesulfonic acid
Preferred Name English
4-[[Bis[4-(dimethylamino)phenyl]methyl]amino]benzenesulfonic acid
Systematic Name English
p-((Bis(4-(dimethylamino)phenyl)methyl)amino)benzenesulphonic acid
Common Name English
Benzenesulfonic acid, 4-[[bis[4-(dimethylamino)phenyl]methyl]amino]-
Systematic Name English
Code System Code Type Description
FDA UNII
H888WY96P3
Created by admin on Tue Apr 01 17:46:37 GMT 2025 , Edited by admin on Tue Apr 01 17:46:37 GMT 2025
PRIMARY
ECHA (EC/EINECS)
256-326-0
Created by admin on Tue Apr 01 17:46:37 GMT 2025 , Edited by admin on Tue Apr 01 17:46:37 GMT 2025
PRIMARY
CAS
47654-02-4
Created by admin on Tue Apr 01 17:46:37 GMT 2025 , Edited by admin on Tue Apr 01 17:46:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID90197236
Created by admin on Tue Apr 01 17:46:37 GMT 2025 , Edited by admin on Tue Apr 01 17:46:37 GMT 2025
PRIMARY
PUBCHEM
3015758
Created by admin on Tue Apr 01 17:46:37 GMT 2025 , Edited by admin on Tue Apr 01 17:46:37 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT