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

Systemtic Name: (3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-mesyl-nipecotamide Formula: C13H16BrFN2O3S MolecularWeight: 379.245143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrFN2O3S/c1-21(19,20)17-6-2-3-9(8-17)13(18)16-12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)/t9-/m0/s1