N-(4-bromanyl-2-fluoranyl-phenyl)-1-quinolin-8-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-quinolin-8-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(8-quinolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-(8-quinolinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(8-quinolylsulfonyl)nipecotamide Formula: C21H19BrFN3O3S MolecularWeight: 492.361263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2N=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H19BrFN3O3S/c22-16-8-9-18(17(23)12-16)25-21(27)15-6-3-11-26(13-15)30(28,29)19-7-1-4-14-5-2-10-24-20(14)19/h1-2,4-5,7-10,12,15H,3,6,11,13H2,(H,25,27)