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

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-(dimethylsulfamoyl)-2-fluoranyl-benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-(dimethylsulfamoyl)-2-fluoro-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-fluorobenzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 5-(dimethylsulfamoyl)-2-fluorobenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-fluoro-benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H25FN2O5S MolecularWeight: 400.464903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)F

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)F

InChI

InChI=1S/C18H25FN2O5S/c1-13(17(22)21-10-6-4-5-7-11-21)26-18(23)15-12-14(8-9-16(15)19)27(24,25)20(2)3/h8-9,12-13H,4-7,10-11H2,1-3H3/t13-/m1/s1