| PDB CCD ID: | LXV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H15 Br2 N3 O2 S |
| InChI: | InChI=1S/C12H15Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,7-8,10,15-16H,4,6H2,1H3/b15-7+/t8-,10+/m0/s1 |
| InChIKey: | HCQNBMQEPLAEIJ-NCAHPRJNSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | [H]/N=C\N1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2cc(ccc2Br)Br | | CACTVS 3.370 | C[CH]1C[CH](CN1C=N)N[S](=O)(=O)c2cc(Br)ccc2Br | | CACTVS 3.370 | C[C@H]1C[C@H](CN1C=N)N[S](=O)(=O)c2cc(Br)ccc2Br | | OpenEye OEToolkits 1.7.0 | CC1CC(CN1C=N)NS(=O)(=O)c2cc(ccc2Br)Br | | ACDLabs 12.01 | Brc1cc(c(Br)cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C |
|
| Name: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide |
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