4-methyl-2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]pentanoic acid CAS Name: 4-methyl-2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]pentanoic acid Traditional Name: 4-methyl-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]valeric acid Formula: C14H16Br3NO5S MolecularWeight: 550.05754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C14H16Br3NO5S/c1-8(2)6-11(13(20)21)18-12(19)9-4-3-5-10(7-9)24(22,23)14(15,16)17/h3-5,7-8,11H,6H2,1-2H3,(H,18,19)(H,20,21)