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Details

Stereochemistry ACHIRAL
Molecular Formula C21H27N3O3S
Molecular Weight 401.5243
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of E-4031

SMILES

Cc1cccc(CCN2CCC(CC2)C(=O)c3ccc(cc3)NS(=O)(=O)C)n1

InChI

InChIKey=SRUISGSHWFJION-UHFFFAOYSA-N
InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H27N3O3S
Molecular Weight 401.5243
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets
Substance Class Chemical
Created
by admin
on Sat Jun 26 03:08:04 UTC 2021
Edited
by admin
on Sat Jun 26 03:08:04 UTC 2021
Record UNII
1L1K8X5DF9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
E-4031
Code English
METHANESULFONAMIDE, N-(4-((1-(2-(6-METHYL-2-PYRIDINYL)ETHYL)-4-PIPERIDINYL)CARBONYL)PHENYL)-
Systematic Name English
N-(4-((1-(2-(6-METHYL-2-PYRIDINYL)ETHYL)-4-PIPERIDINYL)CARBONYL)PHENYL)METHANESULFONAMIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
3185
Created by admin on Sat Jun 26 03:08:05 UTC 2021 , Edited by admin on Sat Jun 26 03:08:05 UTC 2021
PRIMARY
FDA UNII
1L1K8X5DF9
Created by admin on Sat Jun 26 03:08:05 UTC 2021 , Edited by admin on Sat Jun 26 03:08:05 UTC 2021
PRIMARY
EPA CompTox
113558-89-7
Created by admin on Sat Jun 26 03:08:05 UTC 2021 , Edited by admin on Sat Jun 26 03:08:05 UTC 2021
PRIMARY
WIKIPEDIA
E-4031
Created by admin on Sat Jun 26 03:08:05 UTC 2021 , Edited by admin on Sat Jun 26 03:08:05 UTC 2021
PRIMARY
CAS
113558-89-7
Created by admin on Sat Jun 26 03:08:05 UTC 2021 , Edited by admin on Sat Jun 26 03:08:05 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY