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

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-[(2-nitrophenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-N-methyl-N-(2-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(13-15-4-2-3-5-18(15)25(27)28)20(26)14-8-10-24(11-9-14)31(29,30)19-12-16(21)6-7-17(19)22/h2-7,12,14H,8-11,13H2,1H3