methyl 2-chloranyl-5-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[4-[(4-fluorophenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[4-(4-fluoro-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 2-chloro-5-[[4-(4-fluoro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-chloro-5-[4-(4-fluoro-N-mesyl-anilino)butanoylamino]benzoic acid methyl ester Formula: C19H20ClFN2O5S MolecularWeight: 442.888903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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