1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(4-fluoranyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-N-(4-fluoro-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(3,4-difluorophenyl)sulfonyl-N-(4-fluoro-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-N-(4-fluoro-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-N-(4-fluoro-3-nitro-phenyl)isonipecotamide Formula: C18H16F3N3O5S MolecularWeight: 443.39695

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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(C=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3N3O5S/c19-14-4-2-13(10-16(14)21)30(28,29)23-7-5-11(6-8-23)18(25)22-12-1-3-15(20)17(9-12)24(26)27/h1-4,9-11H,5-8H2,(H,22,25)