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

Systemtic Name: methyl 2,4-bis(fluoranyl)-5-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoate Openeye Name: methyl 2,4-difluoro-5-[[3-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 2,4-difluoro-5-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2,4-difluoro-5-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 2,4-difluoro-5-[(3-piperidinosulfonylbenzoyl)amino]benzoic acid methyl ester Formula: C20H20F2N2O5S MolecularWeight: 438.445006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F2N2O5S/c1-29-20(26)15-11-18(17(22)12-16(15)21)23-19(25)13-6-5-7-14(10-13)30(27,28)24-8-3-2-4-9-24/h5-7,10-12H,2-4,8-9H2,1H3,(H,23,25)