1-(5-bromanylthiophen-2-yl)sulfonyl-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-(4-fluoro-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-N-(4-fluoro-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-N-(4-fluoro-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-N-(4-fluoro-3-nitro-phenyl)isonipecotamide Formula: C16H15BrFN3O5S2 MolecularWeight: 492.339803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C16H15BrFN3O5S2/c17-14-3-4-15(27-14)28(25,26)20-7-5-10(6-8-20)16(22)19-11-1-2-12(18)13(9-11)21(23)24/h1-4,9-10H,5-8H2,(H,19,22)