[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid [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=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

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

InChI

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