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

Systemtic Name: [1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C19H21NO5S/c1-13-8-10-15(11-9-13)12-20-18(21)14(2)25-19(22)16-6-4-5-7-17(16)26(3,23)24/h4-11,14H,12H2,1-3H3,(H,20,21)