8K0
Summary
| Name: | 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid |
| Formula: | C15 H16 Br N O4 S |
| Formal charge: | 0 |
| Formula weight: | 386.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-[(4-bromanylnaphthalen-1-yl)sulfonylamino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16BrNO4S/c16-13-8-9-14(12-6-2-1-5-11(12)13)22(20,21)17-10-4-3-7-15(18)19/h1-2,5-6,8-9,17H,3-4,7,10H2,(H,18,19) |
| InChIKey | InChI | 1.03 | OGTDHOOIGRXVIY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCN[S](=O)(=O)c1ccc(Br)c2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCN[S](=O)(=O)c1ccc(Br)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)c(ccc2Br)S(=O)(=O)NCCCCC(=O)O |
