4-(5-bromanyl-2-methylsulfinyl-phenyl)piperidine; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-(5-bromanyl-2-methylsulfinyl-phenyl)piperidine; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(5-bromo-2-methylsulfinyl-phenyl)piperidine; 2,2,2-trifluoroacetic acid CAS Name: 4-(5-bromo-2-methylsulfinylphenyl)piperidine; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(5-bromo-2-methylsulfinylphenyl)piperidine; 2,2,2-trifluoroacetic acid Traditional Name: 4-(5-bromo-2-methylsulfinyl-phenyl)piperidine; 2,2,2-trifluoroacetic acid Formula: C14H17BrF3NO3S MolecularWeight: 416.25389

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=C(C=C1)Br)C2CCNCC2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CS(=O)C1=C(C=C(C=C1)Br)C2CCNCC2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C12H16BrNOS.C2HF3O2/c1-16(15)12-3-2-10(13)8-11(12)9-4-6-14-7-5-9;3-2(4,5)1(6)7/h2-3,8-9,14H,4-7H2,1H3;(H,6,7)