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

Systemtic Name: 3-[[2-[3-[(3-nitrophenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 3-[[2-[3-[(3-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 3-[[2-[[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-[(3-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[3-[(3-nitrobenzoyl)amino]phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid Formula: C28H21N3O6S MolecularWeight: 527.54784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21N3O6S/c32-26(19-9-5-13-23(16-19)31(36)37)29-22-12-6-14-24(17-22)38-25(18-7-2-1-3-8-18)27(33)30-21-11-4-10-20(15-21)28(34)35/h1-17,25H,(H,29,32)(H,30,33)(H,34,35)