1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-[1-(4-mesylphenyl)ethyl]isonipecotamide Formula: C22H26ClFN2O3S MolecularWeight: 452.969843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClFN2O3S/c1-15(16-6-8-18(9-7-16)30(2,28)29)25-22(27)17-10-12-26(13-11-17)14-19-20(23)4-3-5-21(19)24/h3-9,15,17H,10-14H2,1-2H3,(H,25,27)