N-[2,4-bis(fluoranyl)phenyl]-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-1-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-4-carboxamide CAS Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2,4-difluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-5-nitrophenyl)sulfonyl-N-(2,4-difluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-5-nitro-phenyl)sulfonyl-N-(2,4-difluorophenyl)isonipecotamide Formula: C18H16ClF2N3O5S MolecularWeight: 459.851546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClF2N3O5S/c19-14-3-2-13(24(26)27)10-17(14)30(28,29)23-7-5-11(6-8-23)18(25)22-16-4-1-12(20)9-15(16)21/h1-4,9-11H,5-8H2,(H,22,25)