1-[2-[[2,6-dimethyl-3-[[4-[2-[2,2,2-tris(fluoranyl)ethanoyl]hydrazinyl]phenyl]sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]-N-[6-[[1-[2-[[2,6-dimethyl-3-[[4-[2-[2,2,2-tris(fluoranyl)ethanoyl]hydrazinyl]phenyl]sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-yl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[[2,6-dimethyl-3-[[4-[2-[2,2,2-tris(fluoranyl)ethanoyl]hydrazinyl]phenyl]sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]-N-[6-[[1-[2-[[2,6-dimethyl-3-[[4-[2-[2,2,2-tris(fluoranyl)ethanoyl]hydrazinyl]phenyl]sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-yl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazino]phenyl]sulfamoyl]anilino]-2-oxo-ethyl]-N-[6-[[1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazino]phenyl]sulfamoyl]anilino]-2-oxo-ethyl]pyridin-1-ium-3-yl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[2,6-dimethyl-3-[[4-[(2,2,2-trifluoro-1-oxoethyl)hydrazo]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[1-[2-[2,6-dimethyl-3-[[4-[(2,2,2-trifluoro-1-oxoethyl)hydrazo]phenyl]sulfamoyl]anilino]-2-oxoethyl]-3-pyridin-1-iumyl]methoxyamino]hexyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]-N-[6-[[1-[2-[2,6-dimethyl-3-[[4-[2-(2,2,2-trifluoroacetyl)hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]pyridin-1-ium-3-yl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[2,6-dimethyl-3-[[4-[N'-(2,2,2-trifluoroacetyl)hydrazino]phenyl]sulfamoyl]anilino]-2-keto-ethyl]-N-[6-[[1-[2-[2,6-dimethyl-3-[[4-[N'-(2,2,2-trifluoroacetyl)hydrazino]phenyl]sulfamoyl]anilino]-2-keto-ethyl]pyridin-1-ium-3-yl]methoxyamino]hexyl]pyridin-1-ium-3-carboxamide Formula: C54H60F6N12O10S2+2 MolecularWeight: 1215.249019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NNC(=O)C(F)(F)F)C)NC(=O)C[N+]3=CC=CC(=C3)CONCCCCCCNC(=O)C4=C[N+](=CC=C4)CC(=O)NC5=C(C=CC(=C5C)S(=O)(=O)NC6=CC=C(C=C6)NNC(=O)C(F)(F)F)C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NNC(=O)C(F)(F)F)C)NC(=O)C[N+]3=CC=CC(=C3)CONCCCCCCNC(=O)C4=C[N+](=CC=C4)CC(=O)NC5=C(C=CC(=C5C)S(=O)(=O)NC6=CC=C(C=C6)NNC(=O)C(F)(F)F)C

InChI

InChI=1S/C54H58F6N12O10S2/c1-34-13-23-44(83(78,79)69-42-19-15-40(16-20-42)65-67-51(76)53(55,56)57)36(3)48(34)63-46(73)31-71-27-9-11-38(29-71)33-82-62-26-8-6-5-7-25-61-50(75)39-12-10-28-72(30-39)32-47(74)64-49-35(2)14-24-45(37(49)4)84(80,81)70-43-21-17-41(18-22-43)66-68-52(77)54(58,59)60/h9-24,27-30,62,65-66,69-70H,5-8,25-26,31-33H2,1-4H3,(H3-2,61,63,64,67,68,73,74,75,76,77)/p+2