[1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: 1-(benzylcarbamoyl)propyl 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxobutan-2-yl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid 1-(benzylcarbamoyl)propyl ester Formula: C22H25FN2O6S MolecularWeight: 464.507103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C22H25FN2O6S/c1-2-20(21(26)24-15-16-6-4-3-5-7-16)31-22(27)18-14-17(8-9-19(18)23)32(28,29)25-10-12-30-13-11-25/h3-9,14,20H,2,10-13,15H2,1H3,(H,24,26)