| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H33F3N2O2.C6H6O3S |
| Molecular Weight | 620.723 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC=C1.[H][C@]23CCN(CCC4(CCCCC4)C(O)=O)C[C@]2([H])[C@@H](C)C5=C(C3)NC6=C5C=C(C=C6)C(F)(F)F
InChI
InChIKey=IBDOVKSLMMFQPJ-IUPOGUASSA-N
InChI=1S/C26H33F3N2O2.C6H6O3S/c1-16-20-15-31(12-10-25(24(32)33)8-3-2-4-9-25)11-7-17(20)13-22-23(16)19-14-18(26(27,28)29)5-6-21(19)30-22;7-10(8,9)6-4-2-1-3-5-6/h5-6,14,16-17,20,30H,2-4,7-13,15H2,1H3,(H,32,33);1-5H,(H,7,8,9)/t16-,17-,20-;/m1./s1
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.175 |
| 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 | C26H33F3N2O2 |
| Molecular Weight | 462.5476 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
