methyl 5-[(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-2,4-bis(fluoranyl)benzoate

Systemtic Name: methyl 5-[(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)carbonylamino]-2,4-bis(fluoranyl)benzoate Openeye Name: methyl 5-[(4-ethyl-3-morpholinosulfonyl-benzoyl)amino]-2,4-difluoro-benzoate CAS Name: 5-[[[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,4-difluorobenzoate Traditional Name: 5-[(4-ethyl-3-morpholinosulfonyl-benzoyl)amino]-2,4-difluoro-benzoic acid methyl ester Formula: C21H22F2N2O6S MolecularWeight: 468.470986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C(=C2)C(=O)OC)F)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C(=C2)C(=O)OC)F)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H22F2N2O6S/c1-3-13-4-5-14(10-19(13)32(28,29)25-6-8-31-9-7-25)20(26)24-18-11-15(21(27)30-2)16(22)12-17(18)23/h4-5,10-12H,3,6-9H2,1-2H3,(H,24,26)