methyl 3-[[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]methyl]benzoate

Systemtic Name: methyl 3-[[(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)amino]methyl]benzoate Openeye Name: methyl 3-[(4-fluoro-3-morpholinosulfonyl-anilino)methyl]benzoate CAS Name: 3-[[4-fluoro-3-(4-morpholinylsulfonyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-fluoro-3-morpholin-4-ylsulfonylanilino)methyl]benzoate Traditional Name: 3-[(4-fluoro-3-morpholinosulfonyl-anilino)methyl]benzoic acid methyl ester Formula: C19H21FN2O5S MolecularWeight: 408.443843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CNC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CNC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H21FN2O5S/c1-26-19(23)15-4-2-3-14(11-15)13-21-16-5-6-17(20)18(12-16)28(24,25)22-7-9-27-10-8-22/h2-6,11-12,21H,7-10,13H2,1H3