VKZ

4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide

Created: 2021-05-26
Last modified:  2024-09-27

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Chemical Details

Formal Charge1
Atom Count64
Chiral Atom Count0
Bond Count71
Aromatic Bond Count12
2D diagram of VKZ
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Chemical Component Summary

Name4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)4-[2-(4'-azanyl-1-chloranyl-2,3,4,5,6-pentamethyl-7'-oxidanylidene-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,9'-8-aza-1-azonia-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene]-8'-yl)ethyl]benzenesulfonamide
FormulaC24 H30 Cl Ir N4 O3 S
Molecular Weight682.255
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC1C(C)C(C)C(C)C1C.Nc2cc[n+]3[Ir](Cl)N(CCc4ccc(cc4)[S](N)(=O)=O)C(=O)c3c2
SMILESOpenEye OEToolkits2.0.7CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N)Cl)C
Canonical SMILESCACTVS3.385 CC1C(C)C(C)C(C)C1C.Nc2cc[n+]3[Ir](Cl)N(CCc4ccc(cc4)[S](N)(=O)=O)C(=O)c3c2
Canonical SMILESOpenEye OEToolkits2.0.7 CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc(cc7C(=O)N6CCc8ccc(cc8)S(=O)(=O)N)N)Cl)C
InChIInChI1.03 InChI=1S/C14H16N4O3S.C10H15.ClH.Ir/c15-11-6-8-17-13(9-11)14(19)18-7-5-10-1-3-12(4-2-10)22(16,20)21;1-6-7(2)9(4)10(5)8(6)3;;/h1-4,6,8-9H,5,7H2,(H5,15,16,17,18,19,20,21);1-5H3;1H;/q;;;+3/p-2
InChIKeyInChI1.03 OZNKLFOMSCDAEE-UHFFFAOYSA-L