6VY
Summary
| Name: | (1~{S})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid |
| Formula: | C14 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 291.322 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (1~{S})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO4S/c16-14(15-12-9-5-2-6-10-12)13(20(17,18)19)11-7-3-1-4-8-11/h1-10,13H,(H,15,16)(H,17,18,19)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | PCEDFPTYRADALF-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)[C@H](C(=O)Nc1ccccc1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)[CH](C(=O)Nc1ccccc1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)[C@@H](C(=O)Nc2ccccc2)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)C(C(=O)Nc2ccccc2)S(=O)(=O)O |
