1-[[4-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[4-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[4-(tribromomethylsulfonyl)benzoyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[oxo-[4-(tribromomethylsulfonyl)phenyl]methyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[4-(tribromomethylsulfonyl)benzoyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[4-(tribromomethylsulfonyl)benzoyl]amino]cyclohexanecarboxylic acid Formula: C15H16Br3NO5S MolecularWeight: 562.06824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

C1CCC(CC1)(C(=O)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C15H16Br3NO5S/c16-15(17,18)25(23,24)11-6-4-10(5-7-11)12(20)19-14(13(21)22)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H,19,20)(H,21,22)