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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H20ClN3O4S
Molecular Weight 421.898
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of W-18

SMILES

[O-][N+](=O)C1=CC=C(CCN2CCCC\C2=N/S(=O)(=O)C3=CC=C(Cl)C=C3)C=C1

InChI

InChIKey=BKRSVROQVRTSND-XUTLUUPISA-N
InChI=1S/C19H20ClN3O4S/c20-16-6-10-18(11-7-16)28(26,27)21-19-3-1-2-13-22(19)14-12-15-4-8-17(9-5-15)23(24)25/h4-11H,1-3,12-14H2/b21-19+

HIDE SMILES / InChI

Molecular Formula C19H20ClN3O4S
Molecular Weight 421.898
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
04WOYJF7QH
Record Status Validated (UNII)
Record Version