[1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(2,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(2,4-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22F2N2O5S MolecularWeight: 452.471586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)F)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22F2N2O5S/c1-14(20(26)24-19-9-8-16(22)13-18(19)23)30-21(27)15-6-5-7-17(12-15)31(28,29)25-10-3-2-4-11-25/h5-9,12-14H,2-4,10-11H2,1H3,(H,24,26)