V31
Summary
| Name: | 5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid |
| Formula: | C14 H12 Br N O4 S |
| Formal charge: | 0 |
| Formula weight: | 370.218 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-2-[(phenylmethyl)sulfonylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H12BrNO4S/c15-11-6-7-13(12(8-11)14(17)18)16-21(19,20)9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18) |
| InChIKey | InChI | 1.03 | RQMLGQUAXPPRSN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(Br)ccc1N[S](=O)(=O)Cc2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(Br)ccc1N[S](=O)(=O)Cc2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CS(=O)(=O)Nc2ccc(cc2C(=O)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CS(=O)(=O)Nc2ccc(cc2C(=O)O)Br |
