[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(diethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-(diethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(diethylsulfamoyl)-2-fluorobenzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 5-(diethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(diethylsulfamoyl)-2-fluoro-benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H29FN2O5S MolecularWeight: 428.518063

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)OC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)O[C@H](C)C(=O)N2CCCCCC2

InChI

InChI=1S/C20H29FN2O5S/c1-4-23(5-2)29(26,27)16-10-11-18(21)17(14-16)20(25)28-15(3)19(24)22-12-8-6-7-9-13-22/h10-11,14-15H,4-9,12-13H2,1-3H3/t15-/m1/s1