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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(3-fluorophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(3-fluoro-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(3-fluoro-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(3-fluoro-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(3-fluoro-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C18H18ClFN2O5S MolecularWeight: 428.862323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClFN2O5S/c1-3-27-18(24)12-7-8-16(15(19)9-12)21-17(23)11-22(28(2,25)26)14-6-4-5-13(20)10-14/h4-10H,3,11H2,1-2H3,(H,21,23)