ethyl 4-[2-[4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]phenoxy]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]phenoxy]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-[(2-fluorophenyl)methyl-methylsulfonyl-amino]phenoxy]acetyl]amino]benzoate CAS Name: 4-[[2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-[(2-fluorobenzyl)-mesyl-amino]phenoxy]acetyl]amino]benzoic acid ethyl ester Formula: C25H25FN2O6S MolecularWeight: 500.539203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(CC3=CC=CC=C3F)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)N(CC3=CC=CC=C3F)S(=O)(=O)C

InChI

InChI=1S/C25H25FN2O6S/c1-3-33-25(30)18-8-10-20(11-9-18)27-24(29)17-34-22-14-12-21(13-15-22)28(35(2,31)32)16-19-6-4-5-7-23(19)26/h4-15H,3,16-17H2,1-2H3,(H,27,29)