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

Systemtic Name: 3-chloranyl-4-[2-[2-(2-chloranyl-4-methyl-phenyl)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-chloro-4-[[2-[2-(2-chloro-4-methyl-phenyl)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-chloro-4-[[2-[[2-(2-chloro-4-methylphenyl)phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-chloro-4-[[2-[2-(2-chloro-4-methylphenyl)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-chloro-4-[[2-[[2-(2-chloro-4-methyl-phenyl)phenyl]thio]acetyl]amino]benzoic acid Formula: C22H17Cl2NO3S MolecularWeight: 446.34628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=CC=C2SCC(=O)NC3=C(C=C(C=C3)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=CC=C2SCC(=O)NC3=C(C=C(C=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C22H17Cl2NO3S/c1-13-6-8-15(17(23)10-13)16-4-2-3-5-20(16)29-12-21(26)25-19-9-7-14(22(27)28)11-18(19)24/h2-11H,12H2,1H3,(H,25,26)(H,27,28)