4-[(5-bromanylpyridin-2-yl)amino]-2-[[4-(2-methylsulfonylphenyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-bromanylpyridin-2-yl)amino]-2-[[4-(2-methylsulfonylphenyl)phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-bromo-2-pyridyl)amino]-2-[[4-(2-methylsulfonylphenyl)benzoyl]amino]-4-oxo-butanoic acid CAS Name: 4-[(5-bromo-2-pyridinyl)amino]-2-[[[4-(2-methylsulfonylphenyl)phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(5-bromopyridin-2-yl)amino]-2-[[4-(2-methylsulfonylphenyl)benzoyl]amino]-4-oxobutanoic acid Traditional Name: 4-[(5-bromo-2-pyridyl)amino]-4-keto-2-[[4-(2-mesylphenyl)benzoyl]amino]butyric acid Formula: C23H20BrN3O6S MolecularWeight: 546.3904

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C(=O)NC(CC(=O)NC3=NC=C(C=C3)Br)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)C(=O)NC(CC(=O)NC3=NC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C23H20BrN3O6S/c1-34(32,33)19-5-3-2-4-17(19)14-6-8-15(9-7-14)22(29)26-18(23(30)31)12-21(28)27-20-11-10-16(24)13-25-20/h2-11,13,18H,12H2,1H3,(H,26,29)(H,30,31)(H,25,27,28)