methyl 2-fluoranyl-5-[2-(3-phenylpropylsulfonyl)ethanoylamino]benzoate

Systemtic Name: methyl 2-fluoranyl-5-[2-(3-phenylpropylsulfonyl)ethanoylamino]benzoate Openeye Name: methyl 2-fluoro-5-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoate CAS Name: 2-fluoro-5-[[1-oxo-2-(3-phenylpropylsulfonyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-fluoro-5-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoate Traditional Name: 2-fluoro-5-[[2-(3-phenylpropylsulfonyl)acetyl]amino]benzoic acid methyl ester Formula: C19H20FNO5S MolecularWeight: 393.429203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CS(=O)(=O)CCCC2=CC=CC=C2)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CS(=O)(=O)CCCC2=CC=CC=C2)F

InChI

InChI=1S/C19H20FNO5S/c1-26-19(23)16-12-15(9-10-17(16)20)21-18(22)13-27(24,25)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,13H2,1H3,(H,21,22)