| PDB CCD ID: | VV9 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H15 Br Cl N O3 S2 |
| InChI: | InChI=1S/C16H15BrClNO3S2/c1-22-15-7-2-11(10-14(15)17)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1 |
| InChIKey: | PNGJPVDGZNPZHY-INIZCTEOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | COc1ccc(cc1Br)C2N(CCS2)S(=O)(=O)c3ccc(cc3)Cl | | OpenEye OEToolkits 2.0.7 | COc1ccc(cc1Br)[C@H]2N(CCS2)S(=O)(=O)c3ccc(cc3)Cl | | CACTVS 3.385 | COc1ccc(cc1Br)[C@@H]2SCCN2[S](=O)(=O)c3ccc(Cl)cc3 | | CACTVS 3.385 | COc1ccc(cc1Br)[CH]2SCCN2[S](=O)(=O)c3ccc(Cl)cc3 |
|
| Name: | (2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine;
BMS-986122 |
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