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Details

Stereochemistry ACHIRAL
Molecular Formula C25H23F2N3O5S
Molecular Weight 515.529
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NTP-42

SMILES

CC(C)(C)NC(=O)NS(=O)(=O)C1=CC(=CC=C1OC2=CC(=CC=C2)C3=CC=C(OC(F)F)C=C3)C#N

InChI

InChIKey=RIIKDGPBTPECSW-UHFFFAOYSA-N
InChI=1S/C25H23F2N3O5S/c1-25(2,3)29-24(31)30-36(32,33)22-13-16(15-28)7-12-21(22)34-20-6-4-5-18(14-20)17-8-10-19(11-9-17)35-23(26)27/h4-14,23H,1-3H3,(H2,29,30,31)

HIDE SMILES / InChI

Molecular Formula C25H23F2N3O5S
Molecular Weight 515.529
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 14:18:37 GMT 2023
Edited
by admin
on Sat Dec 16 14:18:37 GMT 2023
Record UNII
2057H3EG0S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NTP-42
Code English
NTP42
Common Name English
N-(TERT-BUTYLCARBAMOYL)-5-CYANO-2-((4'-(DIFLUOROMETHOXY)-(1,1'-BIPHENYL)-3-YL)OXY)BENZENESULFONAMIDE
Systematic Name English
BENZENESULFONAMIDE, 5-CYANO-2-((4'-(DIFLUOROMETHOXY)(1,1'-BIPHENYL)-3-YL)OXY)-N-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 628618
Created by admin on Sat Dec 16 14:18:37 GMT 2023 , Edited by admin on Sat Dec 16 14:18:37 GMT 2023
EU-Orphan Drug EU/3/18/1982
Created by admin on Sat Dec 16 14:18:37 GMT 2023 , Edited by admin on Sat Dec 16 14:18:37 GMT 2023
Code System Code Type Description
FDA UNII
2057H3EG0S
Created by admin on Sat Dec 16 14:18:37 GMT 2023 , Edited by admin on Sat Dec 16 14:18:37 GMT 2023
PRIMARY
PUBCHEM
124147085
Created by admin on Sat Dec 16 14:18:37 GMT 2023 , Edited by admin on Sat Dec 16 14:18:37 GMT 2023
PRIMARY
CAS
2055599-51-2
Created by admin on Sat Dec 16 14:18:37 GMT 2023 , Edited by admin on Sat Dec 16 14:18:37 GMT 2023
PRIMARY
SMS_ID
100000177351
Created by admin on Sat Dec 16 14:18:37 GMT 2023 , Edited by admin on Sat Dec 16 14:18:37 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY