N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[[3-[[3-[(3-cyano-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-methoxy-phenyl]sulfonylamino]phenyl]sulfonylamino]-1-oxidanyl-naphthalene-2-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[[3-[[3-[(3-cyano-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-methoxy-phenyl]sulfonylamino]phenyl]sulfonylamino]-1-oxidanyl-naphthalene-2-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-4-[[3-[[3-[(3-cyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-methoxy-phenyl]sulfonylamino]phenyl]sulfonylamino]-1-hydroxy-naphthalene-2-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[[3-[[3-[(3-cyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-4-methoxyphenyl]sulfonylamino]phenyl]sulfonylamino]-1-hydroxy-2-naphthalenecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-4-[[3-[[3-[(3-cyano-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-4-methoxyphenyl]sulfonylamino]phenyl]sulfonylamino]-1-hydroxynaphthalene-2-carboxamide Traditional Name: 4-[[3-[[3-[(3-cyano-5-keto-1-phenyl-2-pyrazolin-4-yl)azo]-4-methoxy-phenyl]sulfonylamino]phenyl]sulfonylamino]-N-[4-(2,4-ditert-amylphenoxy)butyl]-1-hydroxy-2-naphthamide Formula: C54H58N8O9S2 MolecularWeight: 1027.21652

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)NS(=O)(=O)C5=CC(=C(C=C5)OC)N=NC6C(=NN(C6=O)C7=CC=CC=C7)C#N)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)NS(=O)(=O)C4=CC=CC(=C4)NS(=O)(=O)C5=CC(=C(C=C5)OC)N=NC6C(=NN(C6=O)C7=CC=CC=C7)C#N)O)C(C)(C)CC

InChI

InChI=1S/C54H58N8O9S2/c1-8-53(3,4)35-24-26-47(43(30-35)54(5,6)9-2)71-29-16-15-28-56-51(64)42-33-44(40-22-13-14-23-41(40)50(42)63)61-73(68,69)38-21-17-18-36(31-38)60-72(66,67)39-25-27-48(70-7)45(32-39)57-58-49-46(34-55)59-62(52(49)65)37-19-11-10-12-20-37/h10-14,17-27,30-33,49,60-61,63H,8-9,15-16,28-29H2,1-7H3,(H,56,64)