INL
Summary
| Name: | 6-[N-(3-METHOXY-PHENYL)-3-(MORPHOLIN-4-YLMETHYL)-2H-THIENO[3,2-E]-1,2-THIAZINE-1,1,-DIOXIDE]-SULFONAMIDE |
| Synonyms: | AL-6629 [2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE; 2-(3-METHOXYPHENYL)-3-(4-MORPHOLINYL)-; 1,1-DIOXIDE] |
| Formula: | C18 H21 N3 O6 S3 |
| Formal charge: | 0 |
| Formula weight: | 471.571 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
| OpenEye OEToolkits | 1.5.0 | 2-(3-methoxyphenyl)-3-(morpholin-4-ylmethyl)-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)(c1sc3c(c1)C=C(N(c2cccc(OC)c2)S3(=O)=O)CN4CCOCC4)N |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(c1)N2C(=Cc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O)CN4CCOCC4 |
| SMILES | CACTVS | 3.341 | COc1cccc(c1)N2C(=Cc3cc(sc3[S]2(=O)=O)[S](N)(=O)=O)CN4CCOCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cccc(c1)N2C(=Cc3cc(sc3S2(=O)=O)S(=O)(=O)N)CN4CCOCC4 |
| InChI | InChI | 1.03 | InChI=1S/C18H21N3O6S3/c1-26-16-4-2-3-14(11-16)21-15(12-20-5-7-27-8-6-20)9-13-10-17(29(19,22)23)28-18(13)30(21,24)25/h2-4,9-11H,5-8,12H2,1H3,(H2,19,22,23) |
| InChIKey | InChI | 1.03 | XSUAVPPTKHUTDX-UHFFFAOYSA-N |
