| PDB CCD ID: | XZF |
| Number of entries in BioLiP: | 10 |
| Chemical formula: | C11 H13 Cl F3 N3 O4 S3 |
| InChI: | InChI=1S/C11H13ClF3N3O4S3/c1-18-10(4-23-5-11(13,14)15)17-7-2-6(12)8(24(16,19)20)3-9(7)25(18,21)22/h2-3,10,17H,4-5H2,1H3,(H2,16,19,20)/t10-/m0/s1 |
| InChIKey: | CYLWJCABXYDINA-JTQLQIEISA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN1[C@@H](CSCC(F)(F)F)Nc2cc(Cl)c(cc2[S]1(=O)=O)[S](N)(=O)=O | | OpenEye OEToolkits 2.0.7 | CN1C(Nc2cc(c(cc2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F | | ACDLabs 12.01 | NS(=O)(=O)c1cc2c(NC(CSCC(F)(F)F)N(C)S2(=O)=O)cc1Cl | | OpenEye OEToolkits 2.0.7 | CN1[C@H](Nc2cc(c(cc2S1(=O)=O)S(=O)(=O)N)Cl)CSCC(F)(F)F | | CACTVS 3.385 | CN1[CH](CSCC(F)(F)F)Nc2cc(Cl)c(cc2[S]1(=O)=O)[S](N)(=O)=O |
|
| Name: | Polythiazide;
(3S)-6-chloro-2-methyl-1,1-dioxo-3-{[(2,2,2-trifluoroethyl)sulfanyl]methyl}-1,2,3,4-tetrahydro-1lambda~6~,2,4-benzothiadiazine-7-sulfonamide |
| ZINC: | ZINC000001530906 |
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