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PDBeChem : Molecule Descriptors
Molecule : L40
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C18H23N3O4S/c1-6-14-16(12(4)22)11(3)20-17(14)18(23)21-15-9-13(8-7-10(15)2)26(24,25)19-5/h7-9,19-20H,6H2,1-5H3,(H,21,23) |
2 |
InChIKey
|
InChI |
1.03 |
KAKRVIDRGACTEX-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
c1c(c(cc(c1)S(NC)(=O)=O)NC(c2c(c(c(n2)C)C(C)=O)CC)=O)C |
4 |
SMILES
|
CACTVS |
3.385 |
CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cc(ccc2C)[S](=O)(=O)NC |
5 |
SMILES
|
OpenEye OEToolkits |
1.9.2 |
CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cc(ccc2C)[S](=O)(=O)NC |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
1.9.2 |
CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C |
|