N-(5-tert-butyl-4-hexadecoxy-2-oxidanyl-phenyl)-5-[[4-[(2E)-2-(3-isocyano-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]phenyl]sulfonylamino]-2-(2-methoxyethoxy)benzenesulfonamide

Systemtic Name: N-(5-tert-butyl-4-hexadecoxy-2-oxidanyl-phenyl)-5-[[4-[(2E)-2-(3-isocyano-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]phenyl]sulfonylamino]-2-(2-methoxyethoxy)benzenesulfonamide Openeye Name: N-(5-tert-butyl-4-hexadecoxy-2-hydroxy-phenyl)-5-[[4-[(2E)-2-(3-isocyano-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]phenyl]sulfonylamino]-2-(2-methoxyethoxy)benzenesulfonamide CAS Name: N-(5-tert-butyl-4-hexadecoxy-2-hydroxyphenyl)-5-[[4-[(2E)-2-(3-isocyano-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]phenyl]sulfonylamino]-2-(2-methoxyethoxy)benzenesulfonamide IUPAC Name: N-(5-tert-butyl-4-hexadecoxy-2-hydroxyphenyl)-5-[[4-[(2E)-2-(3-isocyano-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]phenyl]sulfonylamino]-2-(2-methoxyethoxy)benzenesulfonamide Traditional Name: N-(5-tert-butyl-4-cetyloxy-2-hydroxy-phenyl)-5-[[4-[(N'E)-N'-(3-isocyano-5-keto-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]phenyl]sulfonylamino]-2-(2-methoxyethoxy)benzenesulfonamide Formula: C51H67N7O9S2 MolecularWeight: 986.24918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)C)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)NN=C4C(=NN(C4=O)C5=CC=CC=C5)[N+]#[C-])OCCOC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)C)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)N/N=C/4\C(=NN(C4=O)C5=CC=CC=C5)[N+]#[C-])OCCOC)O

InChI

InChI=1S/C51H67N7O9S2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-66-46-37-44(59)43(36-42(46)51(2,3)4)57-69(63,64)47-35-39(28-31-45(47)67-34-33-65-6)56-68(61,62)41-29-26-38(27-30-41)53-54-48-49(52-5)55-58(50(48)60)40-24-21-20-22-25-40/h20-22,24-31,35-37,53,56-57,59H,7-19,23,32-34H2,1-4,6H3/b54-48+