1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-[(3-nitrophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-[(3-nitrophenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(3-nitrobenzyl)isonipecotamide Formula: C20H21F2N3O5S MolecularWeight: 453.459646

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C20H21F2N3O5S/c1-23(13-14-3-2-4-17(11-14)25(27)28)20(26)15-7-9-24(10-8-15)31(29,30)19-12-16(21)5-6-18(19)22/h2-6,11-12,15H,7-10,13H2,1H3