QEK
Summary
| Name: | 2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid |
| Formula: | C23 H19 Cl N4 O5 S |
| Formal charge: | 0 |
| Formula weight: | 498.939 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[3-chloranyl-4-[(1~{H}-indazol-3-ylcarbonylamino)methyl]phenyl]sulfonylamino]-5-methyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H19ClN4O5S/c1-13-6-9-20(17(10-13)23(30)31)28-34(32,33)15-8-7-14(18(24)11-15)12-25-22(29)21-16-4-2-3-5-19(16)26-27-21/h2-11,28H,12H2,1H3,(H,25,29)(H,26,27)(H,30,31) |
| InChIKey | InChI | 1.03 | NSKPBPLCHQGVNU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(N[S](=O)(=O)c2ccc(CNC(=O)c3n[nH]c4ccccc34)c(Cl)c2)c(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(N[S](=O)(=O)c2ccc(CNC(=O)c3n[nH]c4ccccc34)c(Cl)c2)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(c(c2)Cl)CNC(=O)c3c4ccccc4[nH]n3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(c(c2)Cl)CNC(=O)c3c4ccccc4[nH]n3 |
