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PDBeChem : Molecule Descriptors
Molecule : MLV
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C19H15FN2O3S/c20-18-16(14-8-3-1-4-9-14)12-7-13-17(18)19(23)21-22-26(24,25)15-10-5-2-6-11-15/h1-13,22H,(H,21,23) |
2 |
InChIKey
|
InChI |
1.03 |
DUTMMJVUYVOSEW-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
C(c1cccc(c1F)c2ccccc2)(NNS(=O)(c3ccccc3)=O)=O |
4 |
SMILES
|
CACTVS |
3.385 |
Fc1c(cccc1c2ccccc2)C(=O)NN[S](=O)(=O)c3ccccc3 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3 |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
Fc1c(cccc1c2ccccc2)C(=O)NN[S](=O)(=O)c3ccccc3 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1ccc(cc1)c2cccc(c2F)C(=O)NNS(=O)(=O)c3ccccc3 |
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