|
PDBeChem : Molecule Descriptors
Molecule : UE7
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C9H13N3O3S/c1-2-11-9(13)12-7-3-5-8(6-4-7)16(10,14)15/h3-6H,2H2,1H3,(H2,10,14,15)(H2,11,12,13) |
2 |
InChIKey
|
InChI |
1.06 |
MMKFCCLMBRGOIK-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCNC(=O)Nc1ccc(cc1)S(=O)(=O)N |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCNC(=O)Nc1ccc(cc1)S(=O)(=O)N |
|