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

Systemtic Name: N-[3-[[4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-1-[4-[3-[2-[[3-[[4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxidanylidene-ethanoyl]hydrazinyl]phenyl]sulfamoyl]phenyl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-1-yl]butyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[4-[3-[2-[3-[[4-[2-[2-(3-morpholinopropylamino)-2-oxo-acetyl]hydrazino]phenyl]sulfamoyl]anilino]-2-oxo-ethyl]pyridin-1-ium-1-yl]butyl]-N-[3-[[4-[2-[2-(3-morpholinopropylamino)-2-oxo-acetyl]hydrazino]phenyl]sulfamoyl]phenyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[4-[3-[2-[3-[[4-[[2-[3-(4-morpholinyl)propylamino]-1,2-dioxoethyl]hydrazo]phenyl]sulfamoyl]anilino]-2-oxoethyl]-1-pyridin-1-iumyl]butyl]-N-[3-[[4-[[2-[3-(4-morpholinyl)propylamino]-1,2-dioxoethyl]hydrazo]phenyl]sulfamoyl]phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[4-[3-[2-[3-[[4-[2-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]pyridin-1-ium-1-yl]butyl]-N-[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-keto-2-[3-[[4-[N'-[2-keto-2-(3-morpholinopropylamino)acetyl]hydrazino]phenyl]sulfamoyl]anilino]ethyl]pyridin-1-ium-1-yl]butyl]-N-[3-[[4-[N'-[2-keto-2-(3-morpholinopropylamino)acetyl]hydrazino]phenyl]sulfamoyl]phenyl]pyridin-1-ium-3-carboxamide Formula: C59H72N14O12S2+2 MolecularWeight: 1233.41958

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=O)C(=O)NNC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)NC(=O)CC4=C[N+](=CC=C4)CCCC[N+]5=CC=CC(=C5)C(=O)NC6=CC(=CC=C6)S(=O)(=O)NC7=CC=C(C=C7)NNC(=O)C(=O)NCCCN8CCOCC8

Isomeric SMILES

C1COCCN1CCCNC(=O)C(=O)NNC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)NC(=O)CC4=C[N+](=CC=C4)CCCC[N+]5=CC=CC(=C5)C(=O)NC6=CC(=CC=C6)S(=O)(=O)NC7=CC=C(C=C7)NNC(=O)C(=O)NCCCN8CCOCC8

InChI

InChI=1S/C59H70N14O12S2/c74-54(62-50-11-3-13-52(40-50)86(80,81)68-48-19-15-46(16-20-48)64-66-58(78)56(76)60-23-7-29-70-31-35-84-36-32-70)39-44-9-5-27-72(42-44)25-1-2-26-73-28-6-10-45(43-73)55(75)63-51-12-4-14-53(41-51)87(82,83)69-49-21-17-47(18-22-49)65-67-59(79)57(77)61-24-8-30-71-33-37-85-38-34-71/h3-6,9-22,27-28,40-43H,1-2,7-8,23-26,29-39H2,(H8-2,60,61,62,63,64,65,66,67,68,69,74,75,76,77,78,79)/p+2