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

Systemtic Name: methyl 5-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-2,4-bis(fluoranyl)benzoate Openeye Name: methyl 5-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]-2,4-difluoro-benzoate CAS Name: 5-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]-2,4-difluorobenzoate Traditional Name: 5-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]-2,4-difluoro-benzoic acid methyl ester Formula: C20H19ClF2N2O5S MolecularWeight: 472.890066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClF2N2O5S/c1-30-20(27)13-10-17(16(23)11-15(13)22)24-19(26)12-5-6-14(21)18(9-12)31(28,29)25-7-3-2-4-8-25/h5-6,9-11H,2-4,7-8H2,1H3,(H,24,26)