[2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylbutan-2-ylamino)ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(1-methyl-3-phenyl-propyl)amino]-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-keto-2-[(1-methyl-3-phenyl-propyl)amino]ethyl] ester Formula: C23H27FN2O6S MolecularWeight: 478.533683

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C23H27FN2O6S/c1-17(7-8-18-5-3-2-4-6-18)25-22(27)16-32-23(28)20-15-19(9-10-21(20)24)33(29,30)26-11-13-31-14-12-26/h2-6,9-10,15,17H,7-8,11-14,16H2,1H3,(H,25,27)