JN1
Summary
| Name: | (6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione |
| Formula: | C10 H10 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 238.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione |
| OpenEye OEToolkits | 2.0.6 | (1~{R},9~{S})-8,8-bis(oxidanylidene)-8$l^{6}-thia-9,12-diazatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-11-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3ccc2c(C1CN(CC(=O)N1)S2(=O)=O)c3 |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O3S/c13-10-6-12-5-8(11-10)7-3-1-2-4-9(7)16(12,14)15/h1-4,8H,5-6H2,(H,11,13)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | OILUHIZMKUPPSN-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1C[N@@]2C[C@H](N1)c3ccccc3[S]2(=O)=O |
| SMILES | CACTVS | 3.385 | O=C1C[N]2C[CH](N1)c3ccccc3[S]2(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)[C@@H]3C[N@](S2(=O)=O)CC(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C3CN(S2(=O)=O)CC(=O)N3 |
