| PDB CCD ID: | W2Z |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C21 H27 N3 O3 S |
| InChI: | InChI=1S/C21H27N3O3S/c1-2-28(26,27)23-11-9-21(10-12-23)8-7-17(20(21)25)19-16-6-4-3-5-15(16)18-13-22-14-24(18)19/h3-6,13-14,17,19-20,25H,2,7-12H2,1H3/t17-,19+,20+/m0/s1 |
| InChIKey: | WFTNBEBSRJTXNN-DFQSSKMNSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCS(=O)(=O)N1CCC2(CC[C@H]([C@H]2O)[C@H]3c4ccccc4-c5n3cnc5)CC1 | | CACTVS 3.385 | CC[S](=O)(=O)N1CCC2(CC[C@H]([C@H]2O)[C@@H]3n4cncc4c5ccccc35)CC1 | | ACDLabs 12.01 | CCS(=O)(=O)N1CCC2(CCC(C2O)C2c3ccccc3c3cncn32)CC1 | | OpenEye OEToolkits 2.0.7 | CCS(=O)(=O)N1CCC2(CCC(C2O)C3c4ccccc4-c5n3cnc5)CC1 | | CACTVS 3.385 | CC[S](=O)(=O)N1CCC2(CC[CH]([CH]2O)[CH]3n4cncc4c5ccccc35)CC1 |
|
| Name: | (1R,2S)-8-(ethanesulfonyl)-2-[(4R,5S,9aM)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decan-1-ol |
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