N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(5-bromo-2-fluoro-phenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(5-bromo-2-fluorophenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(5-bromo-2-fluorophenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-besyl-N-(5-bromo-2-fluoro-benzyl)nipecotamide Formula: C19H20BrFN2O3S MolecularWeight: 455.341103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C19H20BrFN2O3S/c20-16-8-9-18(21)15(11-16)12-22-19(24)14-5-4-10-23(13-14)27(25,26)17-6-2-1-3-7-17/h1-3,6-9,11,14H,4-5,10,12-13H2,(H,22,24)