| PDB CCD ID: | J0N |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H29 Cl Ir N3 O3 S |
| InChI: | InChI=1S/C14H15N3O3S.C10H15.ClH.Ir/c15-21(19,20)12-6-4-11(5-7-12)8-10-17-14(18)13-3-1-2-9-16-13;1-6-7(2)9(4)10(5)8(6)3;;/h1-7,9H,8,10H2,(H3,15,17,18,19,20);1-5H3;1H;/q;;;+2/p-2 |
| InChIKey: | GPKFYIUARYJGFU-UHFFFAOYSA-L |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC12C3([Ir]1456(C2(C4(C53C)C)C)([N]7=C(C=CC=C7)C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)Cl)C | | CACTVS 3.385 | CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCN([Ir]Cl)C(=O)c3ccccn3)cc2 |
|
| Name: | 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide |
