| PDB CCD ID: | JN1 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C10 H10 N2 O3 S |
| InChI: | InChI=1S/C10H10N2O3S/c13-10-6-12-5-8(11-10)7-3-1-2-4-9(7)16(12,14)15/h1-4,8H,5-6H2,(H,11,13)/t8-/m0/s1 |
| InChIKey: | OILUHIZMKUPPSN-QMMMGPOBSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | c3ccc2c(C1CN(CC(=O)N1)S2(=O)=O)c3 | | CACTVS 3.385 | O=C1C[N]2C[CH](N1)c3ccccc3[S]2(=O)=O | | OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)[C@@H]3C[N@](S2(=O)=O)CC(=O)N3 | | CACTVS 3.385 | O=C1C[N@@]2C[C@H](N1)c3ccccc3[S]2(=O)=O | | OpenEye OEToolkits 2.0.6 | c1ccc2c(c1)C3CN(S2(=O)=O)CC(=O)N3 |
|
| Name: | (6R)-5,6-dihydro-1H-2,6-methano-1lambda~6~-1lambda~6~,2,5-benzothiadiazocine-1,1,4(3H)-trione |
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