[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C20H23NO5S/c1-15(19(22)21-12-11-16-7-4-3-5-8-16)26-20(23)18-10-6-9-17(13-18)14-27(2,24)25/h3-10,13,15H,11-12,14H2,1-2H3,(H,21,22)