3-[[2-(4-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[[2-(4-aminophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-(4-aminophenyl)sulfanyl-2-phenyl-acetyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[2-[(4-aminophenyl)thio]-1-oxo-2-phenylethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-(4-aminophenyl)sulfanyl-2-phenylacetyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-[(4-aminophenyl)thio]-2-phenyl-acetyl]amino]-4-chloro-benzoic acid Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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