4-azanyl-4-oxidanylidene-2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid Traditional Name: 4-amino-4-keto-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butyric acid Formula: C12H11Br3N2O6S MolecularWeight: 551.00254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11Br3N2O6S/c13-12(14,15)24(22,23)7-3-1-2-6(4-7)10(19)17-8(11(20)21)5-9(16)18/h1-4,8H,5H2,(H2,16,18)(H,17,19)(H,20,21)