1-[4-[3-[2-[[2,6-dimethyl-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-dimethyl-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-dimethyl-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-dimethyl-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-dimethyl-3-[[4-[2-[2-(methylamino)-2-oxo-acetyl]hydrazino]phenyl]sulfamoyl]anilino]-2-oxo-ethyl]pyridin-1-ium-1-yl]butyl]-N-[2,6-dimethyl-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-dimethyl-3-[[4-[[2-(methylamino)-1,2-dioxoethyl]hydrazo]phenyl]sulfamoyl]anilino]-2-oxoethyl]-1-pyridin-1-iumyl]butyl]-N-[2,6-dimethyl-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-dimethyl-3-[[4-[2-[2-(methylamino)-2-oxoacetyl]hydrazinyl]phenyl]sulfamoyl]anilino]-2-oxoethyl]pyridin-1-ium-1-yl]butyl]-N-[2,6-dimethyl-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-(methylamino)acetyl]hydrazino]phenyl]sulfamoyl]-2,6-dimethyl-anilino]ethyl]pyridin-1-ium-1-yl]butyl]-N-[3-[[4-[N'-[2-keto-2-(3-morpholinopropylamino)acetyl]hydrazino]phenyl]sulfamoyl]-2,6-dimethyl-phenyl]pyridin-1-ium-3-carboxamide Formula: C57H69N13O11S2+2 MolecularWeight: 1176.36826

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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(=O)NC)C)NC(=O)CC3=C[N+](=CC=C3)CCCC[N+]4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5C)S(=O)(=O)NC6=CC=C(C=C6)NNC(=O)C(=O)NCCCN7CCOCC7)C

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NNC(=O)C(=O)NC)C)NC(=O)CC3=C[N+](=CC=C3)CCCC[N+]4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5C)S(=O)(=O)NC6=CC=C(C=C6)NNC(=O)C(=O)NCCCN7CCOCC7)C

InChI

InChI=1S/C57H67N13O11S2/c1-38-13-23-48(82(77,78)66-46-19-15-44(16-20-46)62-64-56(75)54(73)58-5)40(3)51(38)60-50(71)35-42-11-8-28-69(36-42)26-6-7-27-70-29-9-12-43(37-70)53(72)61-52-39(2)14-24-49(41(52)4)83(79,80)67-47-21-17-45(18-22-47)63-65-57(76)55(74)59-25-10-30-68-31-33-81-34-32-68/h8-9,11-24,28-29,36-37H,6-7,10,25-27,30-35H2,1-5H3,(H8-2,58,59,60,61,62,63,64,65,66,67,71,72,73,74,75,76)/p+2