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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H22ClF3N6O3S
Molecular Weight 591.004
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Monlunabant

SMILES

[H][C@@]1(CN(N=C1C2=CC=C(Cl)C=C2)C(NS(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)=NC(=N)NC(C)=O)C4=CC=CC=C4

InChI

InChIKey=GYJPQNPVIJXXTA-JOCHJYFZSA-N
InChI=1S/C26H22ClF3N6O3S/c1-16(37)32-24(31)33-25(35-40(38,39)21-13-9-19(10-14-21)26(28,29)30)36-15-22(17-5-3-2-4-6-17)23(34-36)18-7-11-20(27)12-8-18/h2-14,22H,15H2,1H3,(H3,31,32,33,35,37)/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H22ClF3N6O3S
Molecular Weight 591.004
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
4G8X27X87A
Record Status Validated (UNII)
Record Version