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

Systemtic Name: ethyl 2-chloranyl-4-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 2-chloro-4-[[2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 2-chloro-4-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-chloro-4-[[2-(3-chloro-4-fluoro-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C18H17Cl2FN2O5S MolecularWeight: 463.307383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Cl2FN2O5S/c1-3-28-18(25)13-6-4-11(8-14(13)19)22-17(24)10-23(29(2,26)27)12-5-7-16(21)15(20)9-12/h4-9H,3,10H2,1-2H3,(H,22,24)