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

Systemtic Name: 5-[[2-(4-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-(4-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]-2-chloro-benzoic acid CAS Name: 5-[[2-[(4-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-(4-aminophenyl)sulfanyl-2-phenylacetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-[(4-aminophenyl)thio]-2-phenyl-acetyl]amino]-2-chloro-benzoic acid Formula: C21H17ClN2O3S MolecularWeight: 412.88928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O3S/c22-18-11-8-15(12-17(18)21(26)27)24-20(25)19(13-4-2-1-3-5-13)28-16-9-6-14(23)7-10-16/h1-12,19H,23H2,(H,24,25)(H,26,27)