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

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

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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

Isomeric SMILES

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

InChI

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