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

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-[(4-butoxy-3-methoxy-phenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-1-(3,4-difluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)methyl]-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-butoxy-3-methoxy-benzyl)-1-(3,4-difluorophenyl)sulfonyl-isonipecotamide Formula: C24H30F2N2O5S MolecularWeight: 496.567206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F)OC

InChI

InChI=1S/C24H30F2N2O5S/c1-3-4-13-33-22-8-5-17(14-23(22)32-2)16-27-24(29)18-9-11-28(12-10-18)34(30,31)19-6-7-20(25)21(26)15-19/h5-8,14-15,18H,3-4,9-13,16H2,1-2H3,(H,27,29)