INM
Summary
| Name: | 4-AMINO-6-[N-(3-METHOXYLPROPYL)-2H-THIENO[3,2-E][1,2]THIAZINE 1,1-DIOXIDE]-SULFONAMIDE |
| Synonyms: | AL-8520 [2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE; 4-AMINO-3,4-DIHYDRO-2-(3-METHOXYPROPYL)-; 1,1-DIOXIDE,(R)] |
| Formula: | C10 H15 N3 O5 S3 |
| Formal charge: | 0 |
| Formula weight: | 353.438 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-amino-2-(3-methoxypropyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
| OpenEye OEToolkits | 1.5.0 | (2S)-4-amino-2-(3-methoxypropyl)-1,1-dioxo-thieno[4,5-e][1,2]thiazine-6-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(N)c2sc1c(C(=CN(S1(=O)=O)CCCOC)N)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | COCCCN1C=C(N)c2cc(sc2[S]1(=O)=O)[S](N)(=O)=O |
| SMILES | CACTVS | 3.341 | COCCCN1C=C(N)c2cc(sc2[S]1(=O)=O)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COCCC[N@]1C=C(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | COCCCN1C=C(c2cc(sc2S1(=O)=O)S(=O)(=O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3O5S3/c1-18-4-2-3-13-6-8(11)7-5-9(20(12,14)15)19-10(7)21(13,16)17/h5-6H,2-4,11H2,1H3,(H2,12,14,15) |
| InChIKey | InChI | 1.03 | JWGVKMKDRPFFRV-UHFFFAOYSA-N |
