(3S)-N-[4-bromanyl-2-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[4-bromanyl-2-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-bromo-2-(trifluoromethyl)phenyl]-1-mesyl-nipecotamide Formula: C14H16BrF3N2O3S MolecularWeight: 429.25265

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F

InChI

InChI=1S/C14H16BrF3N2O3S/c1-24(22,23)20-6-2-3-9(8-20)13(21)19-12-5-4-10(15)7-11(12)14(16,17)18/h4-5,7,9H,2-3,6,8H2,1H3,(H,19,21)/t9-/m0/s1