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PDBeChem : Molecule Descriptors
Molecule : T8D
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C10H13ClN2O3S2/c1-8(14)12-4-6-13(7-5-12)18(15,16)10-3-2-9(11)17-10/h2-3H,4-7H2,1H3 |
2 |
InChIKey
|
InChI |
1.03 |
LFGOPTUHDODAIB-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
N1(CCN(CC1)C(C)=O)S(c2ccc(s2)Cl)(=O)=O |
4 |
SMILES
|
CACTVS |
3.385 |
CC(=O)N1CCN(CC1)[S](=O)(=O)c2sc(Cl)cc2 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CC(=O)N1CCN(CC1)[S](=O)(=O)c2sc(Cl)cc2 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(s2)Cl |
|