Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c21ncccc1c(cc(c2)c3c(C)onc3C)S(NC4CCCC4)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C19H21N3O3S/c1-12-19(13(2)25-21-12)14-10-17-16(8-5-9-20-17)18(11-14)26(23,24)22-15-6-3-4-7-15/h5,8-11,15,22H,3-4,6-7H2,1-2H3 |
InChIKey | InChI | 1.03 | XPVKQQFUIYGRLM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(C)c1c2cc3ncccc3c(c2)[S](=O)(=O)NC4CCCC4 |
SMILES | CACTVS | 3.385 | Cc1onc(C)c1c2cc3ncccc3c(c2)[S](=O)(=O)NC4CCCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(on1)C)c2cc3c(cccn3)c(c2)S(=O)(=O)NC4CCCC4 |