Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc2ncc(c(c2c1)Nc3cccc(OC)c3)C(=O)N)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(Nc2c(cnc3ccc(cc23)[S](C)(=O)=O)C(N)=O)c1 |
SMILES | CACTVS | 3.341 | COc1cccc(Nc2c(cnc3ccc(cc23)[S](C)(=O)=O)C(N)=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)Nc2c3cc(ccc3ncc2C(=O)N)S(=O)(=O)C |
InChI | InChI | 1.03 | InChI=1S/C18H17N3O4S/c1-25-12-5-3-4-11(8-12)21-17-14-9-13(26(2,23)24)6-7-16(14)20-10-15(17)18(19)22/h3-10H,1-2H3,(H2,19,22)(H,20,21) |
InChIKey | InChI | 1.03 | SEAXCOHUTXPNQE-UHFFFAOYSA-N |