5-bromanyl-2-[[4-(2-phenylsulfanylethanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[4-(2-phenylsulfanylethanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[4-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoic acid CAS Name: 5-bromo-2-[[oxo-[4-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]methyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[4-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[4-[[2-(phenylthio)acetyl]amino]benzoyl]amino]benzoic acid Formula: C22H17BrN2O4S MolecularWeight: 485.35038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C22H17BrN2O4S/c23-15-8-11-19(18(12-15)22(28)29)25-21(27)14-6-9-16(10-7-14)24-20(26)13-30-17-4-2-1-3-5-17/h1-12H,13H2,(H,24,26)(H,25,27)(H,28,29)