[2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylpropylamino)ethyl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(2-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylpropylamino)ethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [2-keto-2-(2-phenylpropylamino)ethyl] ester Formula: C22H25FN2O6S MolecularWeight: 464.507103

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C22H25FN2O6S/c1-16(17-5-3-2-4-6-17)14-24-21(26)15-31-22(27)18-7-8-19(23)20(13-18)32(28,29)25-9-11-30-12-10-25/h2-8,13,16H,9-12,14-15H2,1H3,(H,24,26)