1-(4-fluorophenyl)carbonyl-N-(2-methyl-5-methylsulfonyl-phenyl)piperidine-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-(2-methyl-5-methylsulfonyl-phenyl)piperidine-3-carboxamide Openeye Name: 1-(4-fluorobenzoyl)-N-(2-methyl-5-methylsulfonyl-phenyl)piperidine-3-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-(2-methyl-5-methylsulfonylphenyl)-3-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-(2-methyl-5-methylsulfonylphenyl)piperidine-3-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-N-(5-mesyl-2-methyl-phenyl)nipecotamide Formula: C21H23FN2O4S MolecularWeight: 418.481723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O4S/c1-14-5-10-18(29(2,27)28)12-19(14)23-20(25)16-4-3-11-24(13-16)21(26)15-6-8-17(22)9-7-15/h5-10,12,16H,3-4,11,13H2,1-2H3,(H,23,25)