[1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2,6-difluoroanilino)-1-methyl-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-(2,6-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24F2N2O5S MolecularWeight: 466.498166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC(C)C(=O)NC3=C(C=CC=C3F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC(C)C(=O)NC3=C(C=CC=C3F)F

InChI

InChI=1S/C22H24F2N2O5S/c1-14-9-10-16(32(29,30)26-11-4-3-5-12-26)13-17(14)22(28)31-15(2)21(27)25-20-18(23)7-6-8-19(20)24/h6-10,13,15H,3-5,11-12H2,1-2H3,(H,25,27)