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

Systemtic Name: 4-[[2-[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoic acid CAS Name: 4-[[2-[[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-[(4-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=C(C=C2)C(=O)O)SC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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