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Details

Stereochemistry ACHIRAL
Molecular Formula C21H22F2N2O3S
Molecular Weight 420.473
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENESULFONIC ACID, 2,6-DIFLUORO-, 1-METHYL-3-(1-METHYL-4-PIPERIDINYL)-1H-INDOL-5-YL ESTER

SMILES

CN1C=C(C2CCN(C)CC2)C3=C1C=CC(OS(=O)(=O)C4=C(F)C=CC=C4F)=C3

InChI

InChIKey=LYHNZWIPSZUYDT-UHFFFAOYSA-N
InChI=1S/C21H22F2N2O3S/c1-24-10-8-14(9-11-24)17-13-25(2)20-7-6-15(12-16(17)20)28-29(26,27)21-18(22)4-3-5-19(21)23/h3-7,12-14H,8-11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H22F2N2O3S
Molecular Weight 420.473
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 07:27:53 UTC 2023
Edited
by admin
on Sat Dec 16 07:27:53 UTC 2023
Record UNII
97S8606IT3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZENESULFONIC ACID, 2,6-DIFLUORO-, 1-METHYL-3-(1-METHYL-4-PIPERIDINYL)-1H-INDOL-5-YL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
6918827
Created by admin on Sat Dec 16 07:27:53 UTC 2023 , Edited by admin on Sat Dec 16 07:27:53 UTC 2023
PRIMARY
CAS
445441-26-9
Created by admin on Sat Dec 16 07:27:53 UTC 2023 , Edited by admin on Sat Dec 16 07:27:53 UTC 2023
PRIMARY
FDA UNII
97S8606IT3
Created by admin on Sat Dec 16 07:27:53 UTC 2023 , Edited by admin on Sat Dec 16 07:27:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID20196217
Created by admin on Sat Dec 16 07:27:53 UTC 2023 , Edited by admin on Sat Dec 16 07:27:53 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR