methyl 2-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonylamino]-5-bromanyl-benzoate

Systemtic Name: methyl 2-[[4-[bis(fluoranyl)methylsulfonyl]phenyl]carbonylamino]-5-bromanyl-benzoate Openeye Name: methyl 5-bromo-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]benzoate CAS Name: 5-bromo-2-[[[4-(difluoromethylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]benzoate Traditional Name: 5-bromo-2-[[4-(difluoromethylsulfonyl)benzoyl]amino]benzoic acid methyl ester Formula: C16H12BrF2NO5S MolecularWeight: 448.235986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrF2NO5S/c1-25-15(22)12-8-10(17)4-7-13(12)20-14(21)9-2-5-11(6-3-9)26(23,24)16(18)19/h2-8,16H,1H3,(H,20,21)