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

Systemtic Name: ethyl 3-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 3-[[2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3-chloro-4-fluoro-N-mesyl-anilino)acetyl]amino]-4-methyl-benzoic acid ethyl ester Formula: C19H20ClFN2O5S MolecularWeight: 442.888903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClFN2O5S/c1-4-28-19(25)13-6-5-12(2)17(9-13)22-18(24)11-23(29(3,26)27)14-7-8-16(21)15(20)10-14/h5-10H,4,11H2,1-3H3,(H,22,24)