[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-(3-methylsulfonylanilino)-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-(3-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfonylanilino)-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-keto-2-(3-mesylanilino)ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)C)C

InChI

InChI=1S/C19H21NO5S/c1-12-8-13(2)18(14(3)9-12)19(22)25-11-17(21)20-15-6-5-7-16(10-15)26(4,23)24/h5-10H,11H2,1-4H3,(H,20,21)