1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]piperidine-3-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)-N-[1-(4-mesylphenyl)ethyl]nipecotamide 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)C2CCCN(C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2CCCN(C2)CC3=C(C=CC=C3Cl)F

InChI

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