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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-mesityl-isonipecotamide Formula: C22H26ClFN2O3S MolecularWeight: 452.969843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClFN2O3S/c1-14-11-15(2)21(16(3)12-14)25-22(27)17-7-9-26(10-8-17)30(28,29)13-18-19(23)5-4-6-20(18)24/h4-6,11-12,17H,7-10,13H2,1-3H3,(H,25,27)