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

Systemtic Name: (3S)-N-[4-bromanyl-2-(trifluoromethyl)phenyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[4-bromo-2-(trifluoromethyl)phenyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[4-bromo-2-(trifluoromethyl)phenyl]piperidine-3-carboxamide Traditional Name: (3S)-1-besyl-N-[4-bromo-2-(trifluoromethyl)phenyl]nipecotamide Formula: C19H18BrF3N2O3S MolecularWeight: 491.32203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Br)C(F)(F)F

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)Br)C(F)(F)F

InChI

InChI=1S/C19H18BrF3N2O3S/c20-14-8-9-17(16(11-14)19(21,22)23)24-18(26)13-5-4-10-25(12-13)29(27,28)15-6-2-1-3-7-15/h1-3,6-9,11,13H,4-5,10,12H2,(H,24,26)/t13-/m0/s1