6VX
Summary
| Name: | (1~{S})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid |
| Formula: | C15 H12 N2 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 348.397 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (1~{S})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H12N2O4S2/c18-14(13(23(19,20)21)10-6-2-1-3-7-10)17-15-16-11-8-4-5-9-12(11)22-15/h1-9,13H,(H,16,17,18)(H,19,20,21)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | VEVZMUHLTRGYHA-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[S](=O)(=O)[C@H](C(=O)Nc1sc2ccccc2n1)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O[S](=O)(=O)[CH](C(=O)Nc1sc2ccccc2n1)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)[C@@H](C(=O)Nc2nc3ccccc3s2)S(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccc(cc1)C(C(=O)Nc2nc3ccccc3s2)S(=O)(=O)O |
