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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22ClN3O5S2
Molecular Weight 447.957
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GW-813893

SMILES

C[C@H](N1CC[C@H](NS(=O)(=O)\C=C\C2=CC=C(Cl)S2)C1=O)C(=O)N3CCOCC3

InChI

InChIKey=ACEFOQMQINFMRW-DYCFVMESSA-N
InChI=1S/C17H22ClN3O5S2/c1-12(16(22)20-7-9-26-10-8-20)21-6-4-14(17(21)23)19-28(24,25)11-5-13-2-3-15(18)27-13/h2-3,5,11-12,14,19H,4,6-10H2,1H3/b11-5+/t12-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H22ClN3O5S2
Molecular Weight 447.957
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
1Y3JD5PEMS
Record Status Validated (UNII)
Record Version