| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H24BrN3O3S.2CH4O3S |
| Molecular Weight | 670.614 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CS(O)(=O)=O.COC1=CC2=C(C=C1)N(C=C2CN3CCN(C)CC3)S(=O)(=O)C4=CC=CC=C4Br
InChI
InChIKey=LOZVXBFXRPRECW-UHFFFAOYSA-N
InChI=1S/C21H24BrN3O3S.2CH4O3S/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22;2*1-5(2,3)4/h3-8,13,15H,9-12,14H2,1-2H3;2*1H3,(H,2,3,4)
| Molecular Formula | CH4O3S |
| Molecular Weight | 96.106 |
| Charge | 0 |
| Count |
MOL RATIO
2 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H24BrN3O3S |
| Molecular Weight | 478.403 |
| 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 |
