5-[[2-[4-[(3-nitrophenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[2-[4-[(3-nitrophenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-[[4-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-[4-[(3-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[2-[[4-[(3-nitrobenzoyl)amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C28H21N3O7S MolecularWeight: 543.54724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)O)C(=O)O)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)O)C(=O)O)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H21N3O7S/c32-24-14-11-20(16-23(24)28(35)36)30-27(34)25(17-5-2-1-3-6-17)39-22-12-9-19(10-13-22)29-26(33)18-7-4-8-21(15-18)31(37)38/h1-16,25,32H,(H,29,33)(H,30,34)(H,35,36)