[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H21F2NO6S MolecularWeight: 453.456346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC(=C(C=C2)F)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)C2=CC(=C(C=C2)F)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H21F2NO6S/c1-13-3-4-16(12-19(13)31(27,28)24-7-9-29-10-8-24)21(26)30-14(2)20(25)15-5-6-17(22)18(23)11-15/h3-6,11-12,14H,7-10H2,1-2H3