U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
5G7LG8347F
Record Status Validated (UNII)
Record Version