[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO5S/c1-14(18(21)20-13-12-15-6-4-3-5-7-15)25-19(22)16-8-10-17(11-9-16)26(2,23)24/h3-11,14H,12-13H2,1-2H3,(H,20,21)