4-chloranyl-3-[2-[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-[4-[(4-nitrophenyl)carbonylamino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-chloro-3-[[2-[[4-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-[4-[(4-nitrobenzoyl)amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-[[4-[(4-nitrobenzoyl)amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C22H16ClN3O6S MolecularWeight: 485.89694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O6S/c23-18-10-3-14(22(29)30)11-19(18)25-20(27)12-33-17-8-4-15(5-9-17)24-21(28)13-1-6-16(7-2-13)26(31)32/h1-11H,12H2,(H,24,28)(H,25,27)(H,29,30)