[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)CS(=O)(=O)C

InChI

InChI=1S/C20H21NO6S/c1-3-19(23)21-17-9-7-15(8-10-17)18(22)12-27-20(24)16-6-4-5-14(11-16)13-28(2,25)26/h4-11H,3,12-13H2,1-2H3,(H,21,23)