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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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