[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H18FNO5S MolecularWeight: 379.402623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H18FNO5S/c1-12(13-6-8-15(19)9-7-13)20-17(21)11-25-18(22)14-4-3-5-16(10-14)26(2,23)24/h3-10,12H,11H2,1-2H3,(H,20,21)/t12-/m1/s1