BZ1
Summary
| Name: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE |
| Synonyms: | Brinzolamide |
| Formula: | C12 H21 N3 O5 S3 |
| Formal charge: | 0 |
| Formula weight: | 383.507 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
| OpenEye OEToolkits | 1.7.6 | (4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-bis(oxidanylidene)-3,4-dihydrothieno[3,2-e][1,2]thiazine-6-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1sc2c(c1)C(NCC)CN(S2(=O)=O)CCCOC)N |
| InChI | InChI | 1.03 | InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | HCRKCZRJWPKOAR-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN[C@H]1CN(CCCOC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCN[CH]1CN(CCCOC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN[C@H]1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCNC1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCCOC |
