Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCc1c(c(nc1C(=O)n3c2cc(S(NC)(=O)=O)ccc2cc3)C)C(=O)C |
InChI | InChI | 1.03 | InChI=1S/C19H21N3O4S/c1-5-15-17(12(3)23)11(2)21-18(15)19(24)22-9-8-13-6-7-14(10-16(13)22)27(25,26)20-4/h6-10,20-21H,5H2,1-4H3 |
InChIKey | InChI | 1.03 | FRIHRFHOIOFYKK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)n2ccc3ccc(cc23)[S](=O)(=O)NC |
SMILES | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)n2ccc3ccc(cc23)[S](=O)(=O)NC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CCc1c(c([nH]c1C(=O)n2ccc3c2cc(cc3)S(=O)(=O)NC)C)C(=O)C |