4-[[(3E)-4-oxidanylidene-3-(pyridin-2-ylhydrazinylidene)naphthalen-1-yl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[(3E)-4-oxidanylidene-3-(pyridin-2-ylhydrazinylidene)naphthalen-1-yl]sulfonylamino]benzoic acid Openeye Name: 4-[[(3E)-4-oxo-3-(2-pyridylhydrazono)-1-naphthyl]sulfonylamino]benzoic acid CAS Name: 4-[[(3E)-4-oxo-3-(2-pyridinylhydrazinylidene)-1-naphthalenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[(3E)-4-oxo-3-(pyridin-2-ylhydrazinylidene)naphthalen-1-yl]sulfonylamino]benzoic acid Traditional Name: 4-[[(3E)-4-keto-3-(2-pyridylhydrazono)-1-naphthyl]sulfonylamino]benzoic acid Formula: C22H16N4O5S MolecularWeight: 448.45124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=NNC3=CC=CC=N3)C2=O)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C/C(=N\NC3=CC=CC=N3)/C2=O)S(=O)(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H16N4O5S/c27-21-17-6-2-1-5-16(17)19(13-18(21)24-25-20-7-3-4-12-23-20)32(30,31)26-15-10-8-14(9-11-15)22(28)29/h1-13,26H,(H,23,25)(H,28,29)/b24-18+