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Details

Stereochemistry ACHIRAL
Molecular Formula C16H19NO3S
Molecular Weight 305.392
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[[Ethyl(3-methylphenyl)amino]methyl]benzenesulfonic acid

SMILES

CCN(CC1=CC=CC(=C1)S(O)(=O)=O)C2=CC(C)=CC=C2

InChI

InChIKey=QAHDKLRCWZENIP-UHFFFAOYSA-N
InChI=1S/C16H19NO3S/c1-3-17(15-8-4-6-13(2)10-15)12-14-7-5-9-16(11-14)21(18,19)20/h4-11H,3,12H2,1-2H3,(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C16H19NO3S
Molecular Weight 305.392
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 12:25:31 GMT 2023
Edited
by admin
on Sat Dec 16 12:25:31 GMT 2023
Record UNII
UA76JPC9NX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[[Ethyl(3-methylphenyl)amino]methyl]benzenesulfonic acid
Systematic Name English
N-Ethyl-N-(m-tolylsulfonyl)-3-methylaniline
Systematic Name English
m-Toluenesulfonic acid, α-(N-ethyl-m-toluidino)-
Systematic Name English
α-(N-Ethyl-m-toluidino)-m-toluenesulfonic acid
Systematic Name English
Benzenesulfonic acid, 3-[[ethyl(3-methylphenyl)amino]methyl]-
Systematic Name English
N-Ethyl-N-(m-tolylsulfonyl)-m-toluidine
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID0059035
Created by admin on Sat Dec 16 12:25:31 GMT 2023 , Edited by admin on Sat Dec 16 12:25:31 GMT 2023
PRIMARY
PUBCHEM
66687
Created by admin on Sat Dec 16 12:25:31 GMT 2023 , Edited by admin on Sat Dec 16 12:25:31 GMT 2023
PRIMARY
FDA UNII
UA76JPC9NX
Created by admin on Sat Dec 16 12:25:31 GMT 2023 , Edited by admin on Sat Dec 16 12:25:31 GMT 2023
PRIMARY
CAS
91-98-5
Created by admin on Sat Dec 16 12:25:31 GMT 2023 , Edited by admin on Sat Dec 16 12:25:31 GMT 2023
PRIMARY
ECHA (EC/EINECS)
202-113-2
Created by admin on Sat Dec 16 12:25:31 GMT 2023 , Edited by admin on Sat Dec 16 12:25:31 GMT 2023
PRIMARY