[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-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:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C20H23NO5S/c1-14-9-10-17(27(3,24)25)13-18(14)20(23)26-15(2)19(22)21-12-11-16-7-5-4-6-8-16/h4-10,13,15H,11-12H2,1-3H3,(H,21,22)