U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry RACEMIC
Molecular Formula C24H22N4O4S.ClH
Molecular Weight 498.982
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DW-2143

SMILES

Cl.NC1=CC=C(C=C1)C(=O)N2CCC3=C2C=CC(=C3)S(=O)(=O)N4CC(NC4=O)C5=CC=CC=C5

InChI

InChIKey=BNYPEIJMDFCULT-UHFFFAOYSA-N
InChI=1S/C24H22N4O4S.ClH/c25-19-8-6-17(7-9-19)23(29)27-13-12-18-14-20(10-11-22(18)27)33(31,32)28-15-21(26-24(28)30)16-4-2-1-3-5-16;/h1-11,14,21H,12-13,15,25H2,(H,26,30);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
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

Molecular Formula C24H22N4O4S
Molecular Weight 462.521
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
R062LY0Z1I
Record Status Validated (UNII)
Record Version