| PDB CCD ID: | BZU |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H21 N3 O5 S3 |
| InChI: | InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-6-20-4-2)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: | BHFKHYVXDQDFSR-JTQLQIEISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CCN[C@H]1C[N@](S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOCC | | ACDLabs 10.04 | O=S(=O)(c1sc2c(c1)C(NCC)CN(CCOCC)S2(=O)=O)N | | OpenEye OEToolkits 1.5.0 | CCNC1CN(S(=O)(=O)c2c1cc(s2)S(=O)(=O)N)CCOCC | | CACTVS 3.341 | CCN[CH]1CN(CCOCC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O | | CACTVS 3.341 | CCN[C@H]1CN(CCOCC)[S](=O)(=O)c2sc(cc12)[S](N)(=O)=O |
|
| Name: | (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide |
| ZINC: | ZINC000008577174 |
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