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PDBeChem : Molecule Descriptors
Molecule : O9V
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C17H19FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21) |
2 |
InChIKey
|
InChI |
1.03 |
GOFZTZBCDBZRIA-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
C(=O)(c1c(c(cc(c1)OCCC)C)F)NNS(c2ccccc2)(=O)=O |
4 |
SMILES
|
CACTVS |
3.385 |
CCCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CCCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C |
|