| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H23ClFN5O2.2C7H8O3S |
| Molecular Weight | 788.305 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC2=CC=C(C=C2)S(O)(=O)=O.CCOC3=C(NC(=O)\C=C\CN(C)C)C=C4C(NC5=CC=C(F)C(Cl)=C5)=NC=NC4=C3
InChI
InChIKey=MCEGMGYYDQRIMH-TXOOBNKBSA-N
InChI=1S/C22H23ClFN5O2.2C7H8O3S/c1-4-31-20-12-18-15(11-19(20)28-21(30)6-5-9-29(2)3)22(26-13-25-18)27-14-7-8-17(24)16(23)10-14;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-8,10-13H,4,9H2,1-3H3,(H,28,30)(H,25,26,27);2*2-5H,1H3,(H,8,9,10)/b6-5+;;
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.202 |
| 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 | C22H23ClFN5O2 |
| Molecular Weight | 443.902 |
| 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 |
