A1IFZ
Summary
| Name: | [(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
| Formula: | C18 H21 Cl2 N2 O6 P S |
| Formal charge: | 0 |
| Formula weight: | 495.314 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-1-[[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H21Cl2N2O6PS/c1-11(2)9-17(29(24,25)26)18(23)21-12-3-5-13(6-4-12)22-30(27,28)14-7-8-15(19)16(20)10-14/h3-8,10-11,17,22H,9H2,1-2H3,(H,21,23)(H2,24,25,26)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | FQSZLJVYRJLSFT-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@H](C(=O)Nc1ccc(N[S](=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)[P](O)(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH](C(=O)Nc1ccc(N[S](=O)(=O)c2ccc(Cl)c(Cl)c2)cc1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@H](C(=O)Nc1ccc(cc1)NS(=O)(=O)c2ccc(c(c2)Cl)Cl)P(=O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC(C(=O)Nc1ccc(cc1)NS(=O)(=O)c2ccc(c(c2)Cl)Cl)P(=O)(O)O |
