Stereochemistry | EPIMERIC |
Molecular Formula | C25H27F4N3O4S |
Molecular Weight | 541.558 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(F)(CO)C[C@H](N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)S(C)(=O)=O)C(F)(F)F)C(=O)NC3(CC3)C#N
InChI
InChIKey=JCZDLZKSPMKOPS-MMBKUXRPSA-N
InChI=1S/C25H27F4N3O4S/c1-23(26,15-33)13-20(22(34)32-24(14-30)11-12-24)31-21(25(27,28)29)18-5-3-16(4-6-18)17-7-9-19(10-8-17)37(2,35)36/h3-10,20-21,31,33H,11-13,15H2,1-2H3,(H,32,34)/t20-,21-,23?/m0/s1
Molecular Formula | C25H27F4N3O4S |
Molecular Weight | 541.558 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |