[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C19H20FNO5S MolecularWeight: 393.429203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C19H20FNO5S/c1-21(11-15-4-3-5-17(20)10-15)18(22)12-26-19(23)16-8-6-14(7-9-16)13-27(2,24)25/h3-10H,11-13H2,1-2H3