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

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxy-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-N-(2-methoxy-5-nitro-phenyl)isonipecotamide Formula: C19H19F2N3O6S MolecularWeight: 455.432466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C19H19F2N3O6S/c1-30-17-5-3-14(24(26)27)11-16(17)22-19(25)12-6-8-23(9-7-12)31(28,29)18-10-13(20)2-4-15(18)21/h2-5,10-12H,6-9H2,1H3,(H,22,25)