1-(3-cyclopentylsulfonylpropanoyl)-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-cyclopentylsulfonylpropanoyl)-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-(3-cyclopentylsulfonylpropanoyl)-N-[(3-fluoro-4-methyl-phenyl)methyl]piperidine-4-carboxamide CAS Name: 1-(3-cyclopentylsulfonyl-1-oxopropyl)-N-[(3-fluoro-4-methylphenyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-cyclopentylsulfonylpropanoyl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-(3-cyclopentylsulfonylpropanoyl)-N-(3-fluoro-4-methyl-benzyl)isonipecotamide Formula: C22H31FN2O4S MolecularWeight: 438.555943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)CCS(=O)(=O)C3CCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)CCS(=O)(=O)C3CCCC3)F

InChI

InChI=1S/C22H31FN2O4S/c1-16-6-7-17(14-20(16)23)15-24-22(27)18-8-11-25(12-9-18)21(26)10-13-30(28,29)19-4-2-3-5-19/h6-7,14,18-19H,2-5,8-13,15H2,1H3,(H,24,27)