1-[4-[tris(bromanyl)methylsulfonyl]naphthalen-2-yl]carbonylpiperidine-2-carboxylic acid

Systemtic Name: 1-[4-[tris(bromanyl)methylsulfonyl]naphthalen-2-yl]carbonylpiperidine-2-carboxylic acid Openeye Name: 1-[4-(tribromomethylsulfonyl)naphthalene-2-carbonyl]piperidine-2-carboxylic acid CAS Name: 1-[oxo-[4-(tribromomethylsulfonyl)-2-naphthalenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-(tribromomethylsulfonyl)naphthalene-2-carbonyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-(tribromomethylsulfonyl)-2-naphthoyl]pipecolinic acid Formula: C18H16Br3NO5S MolecularWeight: 598.10034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C2=CC3=CC=CC=C3C(=C2)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)C2=CC3=CC=CC=C3C(=C2)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C18H16Br3NO5S/c19-18(20,21)28(26,27)15-10-12(9-11-5-1-2-6-13(11)15)16(23)22-8-4-3-7-14(22)17(24)25/h1-2,5-6,9-10,14H,3-4,7-8H2,(H,24,25)