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

Systemtic Name: [1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(2,4-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H24F2N2O5S MolecularWeight: 466.498166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)N3CCCCC3

InChI

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