1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3,5-dimethylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3,5-dimethylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-(3,5-dimethylphenyl)isonipecotamide Formula: C21H24ClFN2O3S MolecularWeight: 438.943263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C21H24ClFN2O3S/c1-14-10-15(2)12-17(11-14)24-21(26)16-6-8-25(9-7-16)29(27,28)13-18-19(22)4-3-5-20(18)23/h3-5,10-12,16H,6-9,13H2,1-2H3,(H,24,26)