(3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(2-thienylsulfonyl)nipecotamide Formula: C16H16BrFN2O3S2 MolecularWeight: 447.342243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H16BrFN2O3S2/c17-12-5-6-14(13(18)9-12)19-16(21)11-3-1-7-20(10-11)25(22,23)15-4-2-8-24-15/h2,4-6,8-9,11H,1,3,7,10H2,(H,19,21)/t11-/m0/s1