ETS
Summary
| Name: | (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE |
| Synonyms: | Dorzolamide |
| Formula: | C10 H16 N2 O4 S3 |
| Formal charge: | 0 |
| Formula weight: | 324.44 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S,6S)-4-(ethylamino)-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide |
| OpenEye OEToolkits | 1.7.6 | (4S,6S)-4-(ethylamino)-6-methyl-7,7-bis(oxidanylidene)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1sc2c(c1)C(NCC)CC(S2(=O)=O)C)N |
| InChI | InChI | 1.03 | InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | IAVUPMFITXYVAF-XPUUQOCRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN[C@H]1C[C@H](C)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCN[CH]1C[CH](C)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN[C@H]1C[C@@H](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCNC1CC(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)C |
