B5D
Summary
| Name: | (3S)-7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
| Formula: | C8 H9 Cl N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 232.687 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | (3S)-7-chloro-3-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
| OpenEye OEToolkits | 1.6.1 | (3S)-7-chloro-3-methyl-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine 1,1-dioxide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Clc1ccc2c(c1)S(=O)(=O)NC(N2)C |
| SMILES_CANONICAL | CACTVS | 3.352 | C[C@H]1Nc2ccc(Cl)cc2[S](=O)(=O)N1 |
| SMILES | CACTVS | 3.352 | C[CH]1Nc2ccc(Cl)cc2[S](=O)(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[C@H]1Nc2ccc(cc2S(=O)(=O)N1)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC1Nc2ccc(cc2S(=O)(=O)N1)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H9ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-5,10-11H,1H3/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | VZRNTCHTJRLTMU-YFKPBYRVSA-N |
