disodium (6E)-4-acetamido-6-[[4-[2-[3-[2-[[2-(2-cyclohexylphenoxy)phenyl]amino]-2-oxidanylidene-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-5-methoxy-2,4-bis(oxidanylidene)imidazolidin-1-yl]ethoxy]phenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (6E)-4-acetamido-6-[[4-[2-[3-[2-[[2-(2-cyclohexylphenoxy)phenyl]amino]-2-oxidanylidene-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-5-methoxy-2,4-bis(oxidanylidene)imidazolidin-1-yl]ethoxy]phenyl]hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (6E)-4-acetamido-6-[[4-[2-[3-[2-[2-(2-cyclohexylphenoxy)anilino]-2-oxo-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-5-methoxy-2,4-dioxo-imidazolidin-1-yl]ethoxy]phenyl]hydrazono]-7-oxidoperoxysulfanyl-5-oxo-naphthalene-2-sulfonate CAS Name: disodium (6E)-4-acetamido-6-[[4-[2-[3-[2-[2-(2-cyclohexylphenoxy)anilino]-2-oxo-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-5-methoxy-2,4-dioxo-1-imidazolidinyl]ethoxy]phenyl]hydrazinylidene]-7-(oxidodioxythio)-5-oxo-2-naphthalenesulfonate IUPAC Name: disodium (6E)-4-acetamido-6-[[4-[2-[3-[2-[2-(2-cyclohexylphenoxy)anilino]-2-oxo-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-5-methoxy-2,4-dioxoimidazolidin-1-yl]ethoxy]phenyl]hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxonaphthalene-2-sulfonate Traditional Name: disodium (6E)-4-acetamido-6-[[4-[2-[3-[2-[2-(2-cyclohexylphenoxy)anilino]-2-keto-1-(4-keto-1H-quinazolin-2-yl)ethyl]-2,4-diketo-5-methoxy-imidazolidin-1-yl]ethoxy]phenyl]hydrazono]-5-keto-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C52H46N8Na2O15S2 MolecularWeight: 1133.07578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=NNC3=CC=C(C=C3)OCCN4C(C(=O)N(C4=O)C(C5=NC(=O)C6=CC=CC=C6N5)C(=O)NC7=CC=CC=C7OC8=CC=CC=C8C9CCCCC9)OC)C2=O)SOO[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(/C(=N/NC3=CC=C(C=C3)OCCN4C(C(=O)N(C4=O)C(C5=NC(=O)C6=CC=CC=C6N5)C(=O)NC7=CC=CC=C7OC8=CC=CC=C8C9CCCCC9)OC)/C2=O)SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C52H48N8O15S2.2Na/c1-29(61)53-39-28-34(77(68,69)70)26-31-27-42(76-75-74-67)44(46(62)43(31)39)58-57-32-20-22-33(23-21-32)72-25-24-59-51(71-2)50(65)60(52(59)66)45(47-54-37-16-8-6-15-36(37)48(63)56-47)49(64)55-38-17-9-11-19-41(38)73-40-18-10-7-14-35(40)30-12-4-3-5-13-30;;/h6-11,14-23,26-28,30,45,51,57,67H,3-5,12-13,24-25H2,1-2H3,(H,53,61)(H,55,64)(H,54,56,63)(H,68,69,70);;/q;2*+1/p-2/b58-44-;;