| PDB CCD ID: | SFF |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C13 H22 N2 O3 S |
| InChI: | InChI=1S/C13H22N2O3S/c16-19(17)12-9-5-4-8-11(12)18-13(15-19)14-10-6-2-1-3-7-10/h10-12H,1-9H2,(H,14,15)/t11-,12+/m0/s1 |
| InChIKey: | ZMDVQNCMHSXAPA-NWDGAFQWSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=S2(=O)N=C(OC1C2CCCC1)NC3CCCCC3 | | OpenEye OEToolkits 1.7.6 | C1CCC(CC1)NC2=NS(=O)(=O)C3CCCCC3O2 | | CACTVS 3.370 | O=[S]1(=O)N=C(NC2CCCCC2)O[C@H]3CCCC[C@@H]13 | | OpenEye OEToolkits 1.7.6 | C1CCC(CC1)NC2=NS(=O)(=O)[C@@H]3CCCC[C@@H]3O2 | | CACTVS 3.370 | O=[S]1(=O)N=C(NC2CCCCC2)O[CH]3CCCC[CH]13 |
|
| Name: | (4aS,8aR)-N-cyclohexyl-4a,5,6,7,8,8a-hexahydro-4,1,2-benzoxathiazin-3-amine 1,1-dioxide |
| ChEMBL: | CHEMBL2409730 |
| ZINC: | ZINC000096273925 |
zhanggroup.org