1-[4-[tris(bromanyl)methylsulfonyl]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[tris(bromanyl)methylsulfonyl]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(tribromomethylsulfonyl)benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[oxo-[4-(tribromomethylsulfonyl)phenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(tribromomethylsulfonyl)benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(tribromomethylsulfonyl)benzoyl]proline Formula: C13H12Br3NO5S MolecularWeight: 534.01508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C(Br)(Br)Br)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C(Br)(Br)Br)C(=O)O

InChI

InChI=1S/C13H12Br3NO5S/c14-13(15,16)23(21,22)9-5-3-8(4-6-9)11(18)17-7-1-2-10(17)12(19)20/h3-6,10H,1-2,7H2,(H,19,20)