[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [(1R)-2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [(1R)-2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C18H18FNO5S MolecularWeight: 379.402623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

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