methyl 2,4-bis(fluoranyl)-5-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoate

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]benzoate CAS Name: 2,4-difluoro-5-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]benzoate Traditional Name: 2,4-difluoro-5-[3-(4-piperidinosulfonylphenyl)propanoylamino]benzoic acid methyl ester Formula: C22H24F2N2O5S MolecularWeight: 466.498166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H24F2N2O5S/c1-31-22(28)17-13-20(19(24)14-18(17)23)25-21(27)10-7-15-5-8-16(9-6-15)32(29,30)26-11-3-2-4-12-26/h5-6,8-9,13-14H,2-4,7,10-12H2,1H3,(H,25,27)