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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27N3O3S
Molecular Weight 401.522
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ZYIL-25497

SMILES

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

InChI

InChIKey=HBGOOGLEKCYWHH-ZOXUKVPXSA-N
InChI=1S/C21H27N3O3S/c1-21(10-5-12-24(21)2)11-13-28(26,27)23-20(25)22-19-17-8-3-6-15(17)14-16-7-4-9-18(16)19/h3,8,11,13-14H,4-7,9-10,12H2,1-2H3,(H2,22,23,25)/b13-11+/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H27N3O3S
Molecular Weight 401.522
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
F2LQ6JE4WV
Record Status Validated (UNII)
Record Version