N-(5-bromanylpyridin-2-yl)-2-[[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]carbonylamino]-5-methyl-benzamide

Systemtic Name: N-(5-bromanylpyridin-2-yl)-2-[[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]carbonylamino]-5-methyl-benzamide Openeye Name: N-(5-bromo-2-pyridyl)-2-[[2-fluoro-4-(2-methylsulfonylphenyl)benzoyl]amino]-5-methyl-benzamide CAS Name: N-(5-bromo-2-pyridinyl)-2-[[[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-oxomethyl]amino]-5-methylbenzamide IUPAC Name: N-(5-bromopyridin-2-yl)-2-[[2-fluoro-4-(2-methylsulfonylphenyl)benzoyl]amino]-5-methylbenzamide Traditional Name: N-(5-bromo-2-pyridyl)-2-[[2-fluoro-4-(2-mesylphenyl)benzoyl]amino]-5-methyl-benzamide Formula: C27H21BrFN3O4S MolecularWeight: 582.440743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)F)C(=O)NC4=NC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)C)F)C(=O)NC4=NC=C(C=C4)Br

InChI

InChI=1S/C27H21BrFN3O4S/c1-16-7-11-23(21(13-16)27(34)32-25-12-9-18(28)15-30-25)31-26(33)20-10-8-17(14-22(20)29)19-5-3-4-6-24(19)37(2,35)36/h3-15H,1-2H3,(H,31,33)(H,30,32,34)