| PDB CCD ID: | B7D |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C8 H8 Cl3 N3 O4 S2 |
| InChI: | InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)/t8-/m1/s1 |
| InChIKey: | LMJSLTNSBFUCMU-MRVPVSSYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@@H](N2)C(Cl)Cl | | CACTVS 3.352 | N[S](=O)(=O)c1cc2c(N[C@H](N[S]2(=O)=O)C(Cl)Cl)cc1Cl | | ACDLabs 11.02 | O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C(Cl)Cl)N | | CACTVS 3.352 | N[S](=O)(=O)c1cc2c(N[CH](N[S]2(=O)=O)C(Cl)Cl)cc1Cl | | OpenEye OEToolkits 1.7.0 | c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NC(N2)C(Cl)Cl |
|
| Name: | (3R)-6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide |
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