methyl 4-chloranyl-3-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(3-chloro-4-fluoro-N-mesyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C17H15Cl2FN2O5S MolecularWeight: 449.280803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

InChI

InChI=1S/C17H15Cl2FN2O5S/c1-27-17(24)10-3-5-12(18)15(7-10)21-16(23)9-22(28(2,25)26)11-4-6-14(20)13(19)8-11/h3-8H,9H2,1-2H3,(H,21,23)