A1D79
Summary
| Name: | 1-[5-[2,3-bis(chloranyl)phenyl]-2,3-dihydro-1~{H}-inden-4-yl]-3-[4-(2-oxidanylpropan-2-yl)thiophen-2-yl]sulfonyl-urea |
| Formula: | C23 H22 Cl2 N2 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 525.468 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[5-[2,3-bis(chloranyl)phenyl]-2,3-dihydro-1~{H}-inden-4-yl]-3-[4-(2-oxidanylpropan-2-yl)thiophen-2-yl]sulfonyl-urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H22Cl2N2O4S2/c1-23(2,29)14-11-19(32-12-14)33(30,31)27-22(28)26-21-15-6-3-5-13(15)9-10-17(21)16-7-4-8-18(24)20(16)25/h4,7-12,29H,3,5-6H2,1-2H3,(H2,26,27,28) |
| InChIKey | InChI | 1.06 | SZXAJFHUVSPWPP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)c1csc(c1)[S](=O)(=O)NC(=O)Nc2c3CCCc3ccc2c4cccc(Cl)c4Cl |
| SMILES | CACTVS | 3.385 | CC(C)(O)c1csc(c1)[S](=O)(=O)NC(=O)Nc2c3CCCc3ccc2c4cccc(Cl)c4Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(c1cc(sc1)S(=O)(=O)NC(=O)Nc2c(ccc3c2CCC3)c4cccc(c4Cl)Cl)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(c1cc(sc1)S(=O)(=O)NC(=O)Nc2c(ccc3c2CCC3)c4cccc(c4Cl)Cl)O |
