| PDB CCD ID: | WAC |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H29 N3 O3 S |
| InChI: | InChI=1S/C21H29N3O3S/c1-15(2)28(26,27)22-11-7-13-24-17-9-4-3-8-16(17)20-19(25)14-23-12-6-5-10-18(23)21(20)24/h3-4,8-9,15,18,22H,5-7,10-14H2,1-2H3/t18-/m0/s1 |
| InChIKey: | LICJTIDRHJECTD-SFHVURJKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | CC(C)S(=O)(=O)NCCCn1c2ccccc2c3c1C4CCCCN4CC3=O | | CACTVS 3.352 | CC(C)[S](=O)(=O)NCCCn1c2ccccc2c3C(=O)CN4CCCC[CH]4c13 | | CACTVS 3.352 | CC(C)[S](=O)(=O)NCCCn1c2ccccc2c3C(=O)CN4CCCC[C@H]4c13 | | OpenEye OEToolkits 1.6.1 | CC(C)S(=O)(=O)NCCCn1c2ccccc2c3c1[C@@H]4CCCC[N@]4CC3=O |
|
| Name: | N-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-hexahydroindolo[2,3-a]quinolizin-12(2H)-yl]propyl}propane-2-sulfonamide |
| DrugBank: | DB01967 |
| ZINC: | ZINC000016051423 |
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