2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-5-chloranyl-benzoic acid

Systemtic Name: 2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-5-chloranyl-benzoic acid Openeye Name: 2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-acetyl]amino]-5-chloro-benzoic acid CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxo-2-phenylethyl]amino]-5-chlorobenzoic acid IUPAC Name: 2-[[2-(4-bromophenyl)sulfanyl-2-phenylacetyl]amino]-5-chlorobenzoic acid Traditional Name: 2-[[2-[(4-bromophenyl)thio]-2-phenyl-acetyl]amino]-5-chloro-benzoic acid Formula: C21H15BrClNO3S MolecularWeight: 476.7707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(=O)O)SC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)Cl)C(=O)O)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H15BrClNO3S/c22-14-6-9-16(10-7-14)28-19(13-4-2-1-3-5-13)20(25)24-18-11-8-15(23)12-17(18)21(26)27/h1-12,19H,(H,24,25)(H,26,27)