methyl (2R)-2-[[5-(diethylsulfamoyl)-2-fluoranyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[5-(diethylsulfamoyl)-2-fluoranyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[5-(diethylsulfamoyl)-2-fluoro-benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[[5-(diethylsulfamoyl)-2-fluorophenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-(diethylsulfamoyl)-2-fluorobenzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[5-(diethylsulfamoyl)-2-fluoro-benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C17H25FN2O5S2 MolecularWeight: 420.519203

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C17H25FN2O5S2/c1-5-20(6-2)27(23,24)12-7-8-14(18)13(11-12)16(21)19-15(9-10-26-4)17(22)25-3/h7-8,11,15H,5-6,9-10H2,1-4H3,(H,19,21)/t15-/m1/s1