4-[[4-[2,5-bis(oxidanyl)-3-pentadecyl-phenyl]sulfonylphenyl]diazenyl]-N-methyl-5-oxidanylidene-1-phenyl-pyrazolidine-3-carboxamide

Systemtic Name: 4-[[4-[2,5-bis(oxidanyl)-3-pentadecyl-phenyl]sulfonylphenyl]diazenyl]-N-methyl-5-oxidanylidene-1-phenyl-pyrazolidine-3-carboxamide Openeye Name: 4-[4-(2,5-dihydroxy-3-pentadecyl-phenyl)sulfonylphenyl]azo-N-methyl-5-oxo-1-phenyl-pyrazolidine-3-carboxamide CAS Name: 4-[4-(2,5-dihydroxy-3-pentadecylphenyl)sulfonylphenyl]azo-N-methyl-5-oxo-1-phenyl-3-pyrazolidinecarboxamide IUPAC Name: 4-[[4-(2,5-dihydroxy-3-pentadecylphenyl)sulfonylphenyl]diazenyl]-N-methyl-5-oxo-1-phenylpyrazolidine-3-carboxamide Traditional Name: 4-[4-(2,5-dihydroxy-3-pentadecyl-phenyl)sulfonylphenyl]azo-5-keto-N-methyl-1-phenyl-pyrazolidine-3-carboxamide Formula: C38H51N5O6S MolecularWeight: 705.90644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)S(=O)(=O)C2=CC=C(C=C2)N=NC3C(NN(C3=O)C4=CC=CC=C4)C(=O)NC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC(=C1O)S(=O)(=O)C2=CC=C(C=C2)N=NC3C(NN(C3=O)C4=CC=CC=C4)C(=O)NC)O

InChI

InChI=1S/C38H51N5O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-28-26-31(44)27-33(36(28)45)50(48,49)32-24-22-29(23-25-32)40-41-35-34(37(46)39-2)42-43(38(35)47)30-20-17-15-18-21-30/h15,17-18,20-27,34-35,42,44-45H,3-14,16,19H2,1-2H3,(H,39,46)