[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6S/c1-3-18(22)20-15-8-4-13(5-9-15)17(21)12-26-19(23)14-6-10-16(11-7-14)27(2,24)25/h4-11H,3,12H2,1-2H3,(H,20,22)