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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H26ClNO4S
Molecular Weight 471.996
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SB-773812

SMILES

COC1=C(C=C2CCN(C)CCC2=C1)S(=O)(=O)C3=CC=C(OCC4=CC=C(Cl)C=C4)C=C3

InChI

InChIKey=HIBWHHQXUSKNOV-UHFFFAOYSA-N
InChI=1S/C25H26ClNO4S/c1-27-13-11-19-15-24(30-2)25(16-20(19)12-14-27)32(28,29)23-9-7-22(8-10-23)31-17-18-3-5-21(26)6-4-18/h3-10,15-16H,11-14,17H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C25H26ClNO4S
Molecular Weight 471.996
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
ZNP5SNF9FY
Record Status Validated (UNII)
Record Version