Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(c(cc(c1)S(NC)(=O)=O)NC(c2c(c(c(n2)C)C(C)=O)CC)=O)C |
InChI | InChI | 1.03 | InChI=1S/C18H23N3O4S/c1-6-14-16(12(4)22)11(3)20-17(14)18(23)21-15-9-13(8-7-10(15)2)26(24,25)19-5/h7-9,19-20H,6H2,1-5H3,(H,21,23) |
InChIKey | InChI | 1.03 | KAKRVIDRGACTEX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cc(ccc2C)[S](=O)(=O)NC |
SMILES | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cc(ccc2C)[S](=O)(=O)NC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)NC)C)C(=O)C |