2-[(E)-[[5-[3-[4-[6-[6-(4-fluorophenyl)-4-phenyl-pyridin-2-yl]oxyhexanoylsulfamoyl]phenoxy]propylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-[[5-[3-[4-[6-[6-(4-fluorophenyl)-4-phenyl-pyridin-2-yl]oxyhexanoylsulfamoyl]phenoxy]propylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Openeye Name: 2-[(E)-[[5-[3-[4-[6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridyl]oxy]hexanoylsulfamoyl]phenoxy]propylcarbamoyl]-2-pyridyl]hydrazono]methyl]benzenesulfonic acid CAS Name: 2-[(E)-[[5-[[3-[4-[[6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]oxy]-1-oxohexyl]sulfamoyl]phenoxy]propylamino]-oxomethyl]-2-pyridinyl]hydrazinylidene]methyl]benzenesulfonic acid IUPAC Name: 2-[(E)-[[5-[3-[4-[6-[6-(4-fluorophenyl)-4-phenylpyridin-2-yl]oxyhexanoylsulfamoyl]phenoxy]propylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid Traditional Name: 2-[(E)-[[5-[3-[4-[6-[[6-(4-fluorophenyl)-4-phenyl-2-pyridyl]oxy]hexanoylsulfamoyl]phenoxy]propylcarbamoyl]-2-pyridyl]hydrazono]methyl]besylic acid Formula: C45H43FN6O9S2 MolecularWeight: 894.986123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2)OCCCCCC(=O)NS(=O)(=O)C3=CC=C(C=C3)OCCCNC(=O)C4=CN=C(C=C4)NN=CC5=CC=CC=C5S(=O)(=O)O)C6=CC=C(C=C6)F

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2)OCCCCCC(=O)NS(=O)(=O)C3=CC=C(C=C3)OCCCNC(=O)C4=CN=C(C=C4)N/N=C/C5=CC=CC=C5S(=O)(=O)O)C6=CC=C(C=C6)F

InChI

InChI=1S/C45H43FN6O9S2/c46-37-18-15-33(16-19-37)40-28-36(32-10-3-1-4-11-32)29-44(50-40)61-26-8-2-5-14-43(53)52-62(55,56)39-22-20-38(21-23-39)60-27-9-25-47-45(54)35-17-24-42(48-30-35)51-49-31-34-12-6-7-13-41(34)63(57,58)59/h1,3-4,6-7,10-13,15-24,28-31H,2,5,8-9,14,25-27H2,(H,47,54)(H,48,51)(H,52,53)(H,57,58,59)/b49-31+