[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C19H19F2NO5S MolecularWeight: 411.419666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C19H19F2NO5S/c20-19(21)28(25,26)16-10-8-15(9-11-16)18(24)27-13-17(23)22-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,19H,4,7,12-13H2,(H,22,23)