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Details

Stereochemistry EPIMERIC
Molecular Formula C21H29N3O4S
Molecular Weight 419.538
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ZYIL-25788

SMILES

CN1CCC[C@]1(C)\C=C\S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2C(O)CC4

InChI

InChIKey=QAEFRNUMRVJODM-CSTALJSBSA-N
InChI=1S/C21H29N3O4S/c1-21(9-4-11-24(21)2)10-12-29(27,28)23-20(26)22-19-16-6-3-5-14(16)13-15-7-8-17(25)18(15)19/h10,12-13,17,25H,3-9,11H2,1-2H3,(H2,22,23,26)/b12-10+/t17?,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H29N3O4S
Molecular Weight 419.538
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:14:04 GMT 2023
Edited
by admin
on Sat Dec 16 19:14:04 GMT 2023
Record UNII
5G7LG8347F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZYIL-25788
Code English
ZYIL25788
Code English
(1E)-2-[(2R)-1,2-Dimethyl-2-pyrrolidinyl]-N-[[(1,2,3,5,6,7-hexahydro-3-hydroxy-s-indacen-4-yl)amino]carbonyl]ethenesulfonamide
Systematic Name English
Code System Code Type Description
FDA UNII
5G7LG8347F
Created by admin on Sat Dec 16 19:14:04 GMT 2023 , Edited by admin on Sat Dec 16 19:14:04 GMT 2023
PRIMARY
PUBCHEM
167484929
Created by admin on Sat Dec 16 19:14:04 GMT 2023 , Edited by admin on Sat Dec 16 19:14:04 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
PARENT -> METABOLITE ACTIVE
MINOR