5-acetamido-2-[4-[[(8E)-2-methyl-5-oxidanylidene-8-(pyridin-2-ylhydrazinylidene)quinolin-3-yl]carbonylamino]-2-sulfo-phenyl]benzenesulfonic acid

Systemtic Name: 5-acetamido-2-[4-[[(8E)-2-methyl-5-oxidanylidene-8-(pyridin-2-ylhydrazinylidene)quinolin-3-yl]carbonylamino]-2-sulfo-phenyl]benzenesulfonic acid Openeye Name: 5-acetamido-2-[4-[[(8E)-2-methyl-5-oxo-8-(2-pyridylhydrazono)quinoline-3-carbonyl]amino]-2-sulfo-phenyl]benzenesulfonic acid CAS Name: 5-acetamido-2-[4-[[[(8E)-2-methyl-5-oxo-8-(2-pyridinylhydrazinylidene)-3-quinolinyl]-oxomethyl]amino]-2-sulfophenyl]benzenesulfonic acid IUPAC Name: 5-acetamido-2-[4-[[(8E)-2-methyl-5-oxo-8-(pyridin-2-ylhydrazinylidene)quinoline-3-carbonyl]amino]-2-sulfophenyl]benzenesulfonic acid Traditional Name: 5-acetamido-2-[4-[[(8E)-5-keto-2-methyl-8-(2-pyridylhydrazono)quinoline-3-carbonyl]amino]-2-sulfo-phenyl]besylic acid Formula: C30H24N6O9S2 MolecularWeight: 676.67636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=O)C=CC(=NNC3=CC=CC=N3)C2=N1)C(=O)NC4=CC(=C(C=C4)C5=C(C=C(C=C5)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C2C(=O)C=C/C(=N\NC3=CC=CC=N3)/C2=N1)C(=O)NC4=CC(=C(C=C4)C5=C(C=C(C=C5)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H24N6O9S2/c1-16-22(15-23-25(38)11-10-24(29(23)32-16)35-36-28-5-3-4-12-31-28)30(39)34-19-7-9-21(27(14-19)47(43,44)45)20-8-6-18(33-17(2)37)13-26(20)46(40,41)42/h3-15H,1-2H3,(H,31,36)(H,33,37)(H,34,39)(H,40,41,42)(H,43,44,45)/b35-24+