[(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [(1R)-2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29FN2O6S MolecularWeight: 456.528163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C21H29FN2O6S/c1-15(20(25)23-14-16-5-3-2-4-6-16)30-21(26)18-13-17(7-8-19(18)22)31(27,28)24-9-11-29-12-10-24/h7-8,13,15-16H,2-6,9-12,14H2,1H3,(H,23,25)/t15-/m1/s1