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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-25437

SMILES

CN1CCC[C@]1(C)\C=C\S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CC(O)C4

InChI

InChIKey=OHGZGWXLQZNMJF-ZHAHBCHTSA-N
InChI=1S/C21H29N3O4S/c1-21(7-4-9-24(21)2)8-10-29(27,28)23-20(26)22-19-17-6-3-5-14(17)11-15-12-16(25)13-18(15)19/h8,10-11,16,25H,3-7,9,12-13H2,1-2H3,(H2,22,23,26)/b10-8+/t16?,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
JL7PD9K22A
Record Status Validated (UNII)
Record Version