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PDBeChem : Molecule Descriptors
Molecule : UVN
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C11H12N2O4S/c14-8-9-1-3-10(4-2-9)18(16,17)13-6-5-12-11(15)7-13/h1-4,8H,5-7H2,(H,12,15) |
2 |
InChIKey
|
InChI |
1.03 |
AGWGMFBDKFNHRP-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2 |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
O=Cc1ccc(cc1)[S](=O)(=O)N2CCNC(=O)C2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1C=O)S(=O)(=O)N2CCNC(=O)C2 |
|