[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6S/c1-4-19(23)21-15-8-6-14(7-9-15)18(22)12-27-20(24)17-11-16(28(3,25)26)10-5-13(17)2/h5-11H,4,12H2,1-3H3,(H,21,23)