4V6
Summary
| Name: | (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
| Synonyms: | BPAM-321 |
| Formula: | C10 H13 Cl N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 260.74 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
| OpenEye OEToolkits | 1.9.2 | (3R)-7-chloranyl-2,3,4-trimethyl-3H-1$l^{6},2,4-benzothiadiazine 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c1S(N(C(C)N(c1ccc2Cl)C)C)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H13ClN2O2S/c1-7-12(2)9-5-4-8(11)6-10(9)16(14,15)13(7)3/h4-7H,1-3H3/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | KKDTTWULFNGREK-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1N(C)c2ccc(Cl)cc2[S](=O)(=O)N1C |
| SMILES | CACTVS | 3.385 | C[CH]1N(C)c2ccc(Cl)cc2[S](=O)(=O)N1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H]1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1N(c2ccc(cc2S(=O)(=O)N1C)Cl)C |
