QEZ
Summary
| Name: | 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid |
| Formula: | C17 H16 Br N O4 S |
| Formal charge: | 0 |
| Formula weight: | 410.282 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-bromanyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16BrNO4S/c18-13-6-8-16(15(10-13)17(20)21)19-24(22,23)14-7-5-11-3-1-2-4-12(11)9-14/h5-10,19H,1-4H2,(H,20,21) |
| InChIKey | InChI | 1.03 | PCBPZTPLEQENRQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc3CCCCc3c2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(Br)ccc1N[S](=O)(=O)c2ccc3CCCCc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1S(=O)(=O)Nc3ccc(cc3C(=O)O)Br)CCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1S(=O)(=O)Nc3ccc(cc3C(=O)O)Br)CCCC2 |
