N1-[3-[(4-hexadecoxy-5-methoxy-2-oxidanyl-phenyl)sulfamoyl]-4-(2-methoxyethoxy)phenyl]-N3-[(8Z)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalen-1-yl]benzene-1,3-disulfonamide

Systemtic Name: N1-[3-[(4-hexadecoxy-5-methoxy-2-oxidanyl-phenyl)sulfamoyl]-4-(2-methoxyethoxy)phenyl]-N3-[(8Z)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalen-1-yl]benzene-1,3-disulfonamide Openeye Name: N1-[3-[(4-hexadecoxy-2-hydroxy-5-methoxy-phenyl)sulfamoyl]-4-(2-methoxyethoxy)phenyl]-N3-[(8Z)-8-[(2-methylsulfonyl-4-nitro-phenyl)hydrazono]-5-oxo-1-naphthyl]benzene-1,3-disulfonamide CAS Name: N1-[3-[(4-hexadecoxy-2-hydroxy-5-methoxyphenyl)sulfamoyl]-4-(2-methoxyethoxy)phenyl]-N3-[(8Z)-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxo-1-naphthalenyl]benzene-1,3-disulfonamide IUPAC Name: 1-N-[3-[(4-hexadecoxy-2-hydroxy-5-methoxyphenyl)sulfamoyl]-4-(2-methoxyethoxy)phenyl]-3-N-[(8Z)-8-[(2-methylsulfonyl-4-nitrophenyl)hydrazinylidene]-5-oxonaphthalen-1-yl]benzene-1,3-disulfonamide Traditional Name: N-[3-[(4-cetyloxy-2-hydroxy-5-methoxy-phenyl)sulfamoyl]-4-(2-methoxyethoxy)phenyl]-N'-[(8Z)-5-keto-8-[(2-mesyl-4-nitro-phenyl)hydrazono]-1-naphthyl]benzene-1,3-disulfonamide Formula: C55H68N6O16S4 MolecularWeight: 1197.41902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)O)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC5=C4C(=NNC6=C(C=C(C=C6)[N+](=O)[O-])S(=O)(=O)C)C=CC5=O)OCCOC)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C(=C1)O)NS(=O)(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC5=C4/C(=N\NC6=C(C=C(C=C6)[N+](=O)[O-])S(=O)(=O)C)/C=CC5=O)OCCOC)OC

InChI

InChI=1S/C55H68N6O16S4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-76-52-38-49(63)47(37-51(52)75-3)60-81(72,73)54-34-39(25-30-50(54)77-33-32-74-2)58-79(68,69)41-21-19-22-42(36-41)80(70,71)59-46-24-20-23-43-48(62)29-28-45(55(43)46)57-56-44-27-26-40(61(64)65)35-53(44)78(4,66)67/h19-30,34-38,56,58-60,63H,5-18,31-33H2,1-4H3/b57-45-