Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc2cc1ccccc1cc2)C(c3c4cc(Cl)ccc4sc3)P(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | O[P](O)(=O)[C@H](C(=O)Nc1ccc2ccccc2c1)c3csc4ccc(Cl)cc34 |
SMILES | CACTVS | 3.341 | O[P](O)(=O)[CH](C(=O)Nc1ccc2ccccc2c1)c3csc4ccc(Cl)cc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)NC(=O)[C@H](c3csc4c3cc(cc4)Cl)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(ccc2c1)NC(=O)C(c3csc4c3cc(cc4)Cl)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C20H15ClNO4PS/c21-14-6-8-18-16(10-14)17(11-28-18)19(27(24,25)26)20(23)22-15-7-5-12-3-1-2-4-13(12)9-15/h1-11,19H,(H,22,23)(H2,24,25,26)/t19-/m0/s1 |
InChIKey | InChI | 1.03 | HUJXISJLAPAFBO-IBGZPJMESA-N |