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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21N3O2S
Molecular Weight 319.422
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BA-1049, (S)-

SMILES

C[C@H](N)C1CCN(CC1)S(=O)(=O)C2=C3C=CN=CC3=CC=C2

InChI

InChIKey=MGLIYKZFLDTAMW-LBPRGKRZSA-N
InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H21N3O2S
Molecular Weight 319.422
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:26:29 GMT 2025
Edited
by admin
on Wed Apr 02 16:26:29 GMT 2025
Record UNII
WGV737HBT9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(?S)-1-(5-Isoquinolinylsulfonyl)-?-methyl-4-piperidinemethanamine
Preferred Name English
BA-1049, (S)-
Code English
4-Piperidinemethanamine, 1-(5-isoquinolinylsulfonyl)-?-methyl-, (?S)-
Systematic Name English
Code System Code Type Description
CAS
2146097-17-6
Created by admin on Wed Apr 02 16:26:29 GMT 2025 , Edited by admin on Wed Apr 02 16:26:29 GMT 2025
PRIMARY
FDA UNII
WGV737HBT9
Created by admin on Wed Apr 02 16:26:29 GMT 2025 , Edited by admin on Wed Apr 02 16:26:29 GMT 2025
PRIMARY
PUBCHEM
137411001
Created by admin on Wed Apr 02 16:26:29 GMT 2025 , Edited by admin on Wed Apr 02 16:26:29 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER