[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C18H18FNO5S MolecularWeight: 379.402623

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H18FNO5S/c1-26(23,24)16-4-2-3-14(11-16)18(22)25-12-17(21)20-10-9-13-5-7-15(19)8-6-13/h2-8,11H,9-10,12H2,1H3,(H,20,21)