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

Systemtic Name: methyl 3-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(3-chloro-4-fluoro-N-mesyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C17H16ClFN2O5S MolecularWeight: 414.835743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClFN2O5S/c1-26-17(23)11-4-3-5-12(8-11)20-16(22)10-21(27(2,24)25)13-6-7-15(19)14(18)9-13/h3-9H,10H2,1-2H3,(H,20,22)