Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(CCS(c1ccccc1)(=O)=O)C(Nc2cc(C)on2)=O |
InChI | InChI | 1.03 | InChI=1S/C13H15N3O4S/c1-10-9-12(16-20-10)15-13(17)14-7-8-21(18,19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17) |
InChIKey | InChI | 1.03 | XVQVTCYUFZRWGM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(NC(=O)NCC[S](=O)(=O)c2ccccc2)c1 |
SMILES | CACTVS | 3.385 | Cc1onc(NC(=O)NCC[S](=O)(=O)c2ccccc2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2 |