| PDB CCD ID: | VL2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H28 Cl Ir N4 O5 S |
| InChI: | InChI=1S/C14H14N4O5S.C10H15.ClH.Ir/c15-24(22,23)12-3-1-10(2-4-12)5-7-17-14(19)13-9-11(18(20)21)6-8-16-13;1-6-7(2)9(4)10(5)8(6)3;;/h1-4,6,8-9H,5,7H2,(H3,15,17,19,22,23);1-5H3;1H;/q;;;+3/p-2 |
| InChIKey: | WUOZRCRVUWNRSO-UHFFFAOYSA-L |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCN3[Ir](Cl)[n+]4ccc(cc4C3=O)[N](=O)=O)cc2 | | OpenEye OEToolkits 2.0.7 | CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N(=O)=O)Cl)C |
|
| Name: | 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide |
