1-[4-[3-[2-[[2,6-bis(chloranyl)-3-[[4-[2-[2-(methylamino)-2-oxidanylidene-ethanoyl]hydrazinyl]phenyl]sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-1-yl]butyl]-N-[2,6-bis(chloranyl)-3-[[4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]hydrazinyl]phenyl]sulfamoyl]phenyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[4-[3-[2-[[2,6-bis(chloranyl)-3-[[4-[2-[2-(methylamino)-2-oxidanylidene-ethanoyl]hydrazinyl]phenyl]sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-1-yl]butyl]-N-[2,6-bis(chloranyl)-3-[[4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]hydrazinyl]phenyl]sulfamoyl]phenyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[4-[3-[2-[2,6-dichloro-3-[[4-[2-[2-(methylamino)-2-oxo-acetyl]hydrazino]phenyl]sulfamoyl]anilino]-2-oxo-ethyl]pyridin-1-ium-1-yl]butyl]-N-[2,6-dichloro-3-[[4-[2-[2-(3-morpholinopropylamino)-2-oxo-acetyl]hydrazino]phenyl]sulfamoyl]phenyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[4-[3-[2-[2,6-dichloro-3-[[4-[[2-(methylamino)-1,2-dioxoethyl]hydrazo]phenyl]sulfamoyl]anilino]-2-oxoethyl]-1-pyridin-1-iumyl]butyl]-N-[2,6-dichloro-3-[[4-[[2-[3-(4-morpholinyl)propylamino]-1,2-dioxoethyl]hydrazo]phenyl]sulfamoyl]phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[4-[3-[2-[2,6-dichloro-3-[[4-[2-[2-(methylamino)-2-oxoacetyl]hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]pyridin-1-ium-1-yl]butyl]-N-[2,6-dichloro-3-[[4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[4-[3-[2-[2,6-dichloro-3-[[4-[N'-[2-keto-2-(methylamino)acetyl]hydrazino]phenyl]sulfamoyl]anilino]-2-keto-ethyl]pyridin-1-ium-1-yl]butyl]-N-[2,6-dichloro-3-[[4-[N'-[2-keto-2-(3-morpholinopropylamino)acetyl]hydrazino]phenyl]sulfamoyl]phenyl]pyridin-1-ium-3-carboxamide Formula: C53H57Cl4N13O11S2+2 MolecularWeight: 1258.04218

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(=O)NNC1=CC=C(C=C1)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)NC(=O)CC3=C[N+](=CC=C3)CCCC[N+]4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5Cl)S(=O)(=O)NC6=CC=C(C=C6)NNC(=O)C(=O)NCCCN7CCOCC7)Cl)Cl

Isomeric SMILES

CNC(=O)C(=O)NNC1=CC=C(C=C1)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)NC(=O)CC3=C[N+](=CC=C3)CCCC[N+]4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5Cl)S(=O)(=O)NC6=CC=C(C=C6)NNC(=O)C(=O)NCCCN7CCOCC7)Cl)Cl

InChI

InChI=1S/C53H55Cl4N13O11S2/c1-58-50(73)52(75)64-62-36-9-13-38(14-10-36)66-82(77,78)42-19-17-40(54)47(45(42)56)60-44(71)31-34-7-4-24-69(32-34)22-2-3-23-70-25-5-8-35(33-70)49(72)61-48-41(55)18-20-43(46(48)57)83(79,80)67-39-15-11-37(12-16-39)63-65-53(76)51(74)59-21-6-26-68-27-29-81-30-28-68/h4-5,7-20,24-25,32-33H,2-3,6,21-23,26-31H2,1H3,(H8-2,58,59,60,61,62,63,64,65,66,67,71,72,73,74,75,76)/p+2