[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethylsulfonylbenzoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-ethylsulfonylbenzoate Openeye Name: [(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18FNO5S MolecularWeight: 379.402623

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO5S/c1-3-26(23,24)16-7-5-4-6-15(16)18(22)25-12(2)17(21)20-14-10-8-13(19)9-11-14/h4-12H,3H2,1-2H3,(H,20,21)/t12-/m1/s1