1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[(2,4-dimethylphenyl)methyl]piperidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)C

InChI

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