disodium 5-acetamido-2-[[7-[[4-(methoxymethylideneamino)-2-oxidanidylperoxysulfanyl-phenyl]carbamoyl]naphthalen-2-yl]carbonylamino]benzenesulfonate

Systemtic Name: disodium 5-acetamido-2-[[7-[[4-(methoxymethylideneamino)-2-oxidanidylperoxysulfanyl-phenyl]carbamoyl]naphthalen-2-yl]carbonylamino]benzenesulfonate Openeye Name: disodium 5-acetamido-2-[[7-[[4-(methoxymethyleneamino)-2-oxidoperoxysulfanyl-phenyl]carbamoyl]naphthalene-2-carbonyl]amino]benzenesulfonate CAS Name: disodium 5-acetamido-2-[[[7-[[4-(methoxymethylideneamino)-2-(oxidodioxythio)anilino]-oxomethyl]-2-naphthalenyl]-oxomethyl]amino]benzenesulfonate IUPAC Name: disodium 5-acetamido-2-[[7-[[4-(methoxymethylideneamino)-2-oxidoperoxysulfanylphenyl]carbamoyl]naphthalene-2-carbonyl]amino]benzenesulfonate Traditional Name: disodium 5-acetamido-2-[[7-[[4-(methoxymethyleneamino)-2-(oxidoperoxythio)phenyl]carbamoyl]-2-naphthoyl]amino]besylate Formula: C28H22N4Na2O10S2 MolecularWeight: 684.60462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)N=COC)SOO[O-])C=C2)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)N=COC)SOO[O-])C=C2)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H24N4O10S2.2Na/c1-16(33)30-22-8-10-24(26(14-22)44(37,38)39)32-28(35)19-6-4-17-3-5-18(11-20(17)12-19)27(34)31-23-9-7-21(29-15-40-2)13-25(23)43-42-41-36;;/h3-15,36H,1-2H3,(H,30,33)(H,31,34)(H,32,35)(H,37,38,39);;/q;2*+1/p-2